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

Systemtic Name: N-[(3-nitrophenyl)methyl]-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]aniline Openeye Name: 3-[(4-benzylpiperazin-4-ium-1-yl)methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: N-[(3-nitrophenyl)methyl]-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]aniline IUPAC Name: 3-[(4-benzylpiperazin-4-ium-1-yl)methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [3-[(4-benzylpiperazin-4-ium-1-yl)methyl]phenyl]-(3-nitrobenzyl)amine Formula: C25H29N4O2+ MolecularWeight: 417.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O2/c30-29(31)25-11-5-8-22(17-25)18-26-24-10-4-9-23(16-24)20-28-14-12-27(13-15-28)19-21-6-2-1-3-7-21/h1-11,16-17,26H,12-15,18-20H2/p+1