2-[4-(2-methoxyphenyl)-1,1-dipyridin-2-yl-piperazin-1-ium-2-yl]ethanamine

Systemtic Name: 2-[4-(2-methoxyphenyl)-1,1-dipyridin-2-yl-piperazin-1-ium-2-yl]ethanamine Openeye Name: 2-[4-(2-methoxyphenyl)-1,1-bis(2-pyridyl)piperazin-1-ium-2-yl]ethanamine CAS Name: 2-[4-(2-methoxyphenyl)-1,1-bis(2-pyridinyl)-2-piperazin-1-iumyl]ethanamine IUPAC Name: 2-[4-(2-methoxyphenyl)-1,1-dipyridin-2-ylpiperazin-1-ium-2-yl]ethanamine Traditional Name: 2-[4-(2-methoxyphenyl)-1,1-bis(2-pyridyl)piperazin-1-ium-2-yl]ethylamine Formula: C23H28N5O+ MolecularWeight: 390.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C23H28N5O/c1-29-21-9-3-2-8-20(21)27-16-17-28(19(18-27)12-13-24,22-10-4-6-14-25-22)23-11-5-7-15-26-23/h2-11,14-15,19H,12-13,16-18,24H2,1H3/q+1