3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]phenyl]-(3-nitrobenzyl)amine Formula: C31H33N4O2+ MolecularWeight: 493.61932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O2/c36-35(37)30-16-8-9-25(22-30)23-32-29-15-7-10-26(21-29)24-33-17-19-34(20-18-33)31(27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-16,21-22,31-32H,17-20,23-24H2/p+1