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

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-(3-nitrobenzyl)amine Formula: C24H26ClN4O2+ MolecularWeight: 437.94184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O2/c25-21-6-3-8-23(16-21)28-12-10-27(11-13-28)18-20-5-1-7-22(14-20)26-17-19-4-2-9-24(15-19)29(30)31/h1-9,14-16,26H,10-13,17-18H2/p+1