3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]phenyl]-(3-nitrobenzyl)amine Formula: C25H28ClN4O2+ MolecularWeight: 451.96842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O2/c1-19-8-9-22(26)16-25(19)29-12-10-28(11-13-29)18-21-5-2-6-23(14-21)27-17-20-4-3-7-24(15-20)30(31)32/h2-9,14-16,27H,10-13,17-18H2,1H3/p+1