2-[4-(4-methylpiperazin-1-yl)carbonyl-1-oxidanidyl-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)carbonyl-1-oxidanidyl-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-1-oxido-piperazin-1-ium-1-yl]hexanoic acid CAS Name: 2-[4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-oxido-3-(phenylmethyl)-1-piperazin-1-iumyl]hexanoic acid IUPAC Name: 2-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-1-oxidopiperazin-1-ium-1-yl]hexanoic acid Traditional Name: 2-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-1-oxido-piperazin-1-ium-1-yl]hexanoic acid Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCN(C(C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C)[O-]

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCN(C(C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C)[O-]

InChI

InChI=1S/C23H36N4O4/c1-3-4-10-21(22(28)29)27(31)16-15-26(23(30)25-13-11-24(2)12-14-25)20(18-27)17-19-8-6-5-7-9-19/h5-9,20-21H,3-4,10-18H2,1-2H3,(H,28,29)