3-methoxy-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide

Systemtic Name: 3-methoxy-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: 3-methoxy-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide CAS Name: 3-methoxy-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-methoxy-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide Traditional Name: 3-methoxy-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]propionamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)CCOC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)CCOC

InChI

InChI=1S/C21H28N4O2/c1-17-6-3-4-8-19(17)24-11-13-25(14-12-24)21-18(7-5-10-22-21)16-23-20(26)9-15-27-2/h3-8,10H,9,11-16H2,1-2H3,(H,23,26)/p+1