2-[4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-pyridin-2-yl-piperazin-1-ium-2-yl]ethanamine

Systemtic Name: 2-[4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-pyridin-2-yl-piperazin-1-ium-2-yl]ethanamine Openeye Name: 2-[4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-(2-pyridyl)piperazin-1-ium-2-yl]ethanamine CAS Name: 2-[4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-(2-pyridinyl)-2-piperazin-1-iumyl]ethanamine IUPAC Name: 2-[4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-pyridin-2-ylpiperazin-1-ium-2-yl]ethanamine Traditional Name: 2-[4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-(2-pyridyl)piperazin-1-ium-2-yl]ethylamine Formula: C24H28N5O3+ MolecularWeight: 434.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C24H28N5O3/c1-32-23-11-5-3-9-21(23)27-16-17-29(19(18-27)13-14-25,24-12-6-7-15-26-24)22-10-4-2-8-20(22)28(30)31/h2-12,15,19H,13-14,16-18,25H2,1H3/q+1