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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]-(3-nitrobenzyl)amine Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)NCC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)NCC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H30N4O2/c1-20-6-3-11-26(21(20)2)29-14-12-28(13-15-29)19-23-8-4-9-24(16-23)27-18-22-7-5-10-25(17-22)30(31)32/h3-11,16-17,27H,12-15,18-19H2,1-2H3/p+1