4-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [4-[2-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]phenyl]-(3-nitrobenzyl)amine Formula: C32H35N4O2+ MolecularWeight: 507.6459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H34N4O2/c37-36(38)31-13-7-8-27(24-31)25-33-30-16-14-26(15-17-30)18-19-34-20-22-35(23-21-34)32(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-17,24,32-33H,18-23,25H2/p+1