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

Systemtic Name: 4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline CAS Name: 4-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: 4-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-[(3-nitrophenyl)methyl]aniline Traditional Name: [4-[2-[4-(2-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=C1N2CC[NH+](CC2)CCC3=CC=C(C=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCC3=CC=C(C=C3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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