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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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