methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-1-yl]ethanoyl]amino]ethanoyl]amino]ethanoyl]amino]ethyl]-[(4-nitrophenyl)methyl]-(phenylmethyl)azanium dibromide

Systemtic Name: methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-1-yl]ethanoyl]amino]ethanoyl]amino]ethanoyl]amino]ethyl]-[(4-nitrophenyl)methyl]-(phenylmethyl)azanium dibromide Openeye Name: benzyl-methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-1-yl]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-[(4-nitrophenyl)methyl]ammonium dibromide CAS Name: methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[1-[(4-nitrophenyl)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]ethyl]-[(4-nitrophenyl)methyl]-(phenylmethyl)ammonium dibromide IUPAC Name: benzyl-methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-1-yl]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-[(4-nitrophenyl)methyl]azanium dibromide Traditional Name: benzyl-methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[1-(4-nitrobenzyl)piperidin-1-ium-1-yl]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-(4-nitrobenzyl)ammonium dibromide Formula: C38H51Br2N7O7 MolecularWeight: 877.66224

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[N+](C)(CC1=CC=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN(C)C(=O)CN(C)C(=O)C[N+]3(CCCCC3)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-].[Br-]

Isomeric SMILES

CN(CC[N+](C)(CC1=CC=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN(C)C(=O)CN(C)C(=O)C[N+]3(CCCCC3)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-].[Br-]

InChI

InChI=1S/C38H51N7O7.2BrH/c1-39(21-24-44(4,27-31-11-7-5-8-12-31)28-32-13-17-34(18-14-32)42(49)50)36(46)25-40(2)37(47)26-41(3)38(48)30-45(22-9-6-10-23-45)29-33-15-19-35(20-16-33)43(51)52;;/h5,7-8,11-20H,6,9-10,21-30H2,1-4H3;2*1H/q+2;;/p-2