[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: [1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(3-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)27-13-7-12-25(20-27)21-28-17-15-26(16-18-28)29(22-24-10-5-2-6-11-24)19-14-23-8-3-1-4-9-23/h1-13,20,26H,14-19,21-22H2/p+2