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

Systemtic Name: 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]phenyl]-(3-nitrobenzyl)amine Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCC3=CC=C(C=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCC3=CC=C(C=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O3/c1-33-26-7-3-5-24(19-26)29-16-14-28(15-17-29)13-12-21-8-10-23(11-9-21)27-20-22-4-2-6-25(18-22)30(31)32/h2-11,18-19,27H,12-17,20H2,1H3/p+1