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

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenyl]-(3-nitrobenzyl)amine Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O3/c1-32-25-11-9-23(10-12-25)28-15-13-27(14-16-28)19-20-5-7-22(8-6-20)26-18-21-3-2-4-24(17-21)29(30)31/h2-12,17,26H,13-16,18-19H2,1H3/p+1