[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: [1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]-phenethyl-ammonium Formula: C27H33N3O2+2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O2/c31-30(32)27-14-8-7-13-25(27)22-28-18-16-26(17-19-28)29(21-24-11-5-2-6-12-24)20-15-23-9-3-1-4-10-23/h1-14,26H,15-22H2/p+2