1-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-3-propyl-urea

Systemtic Name: 1-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-3-propyl-urea Openeye Name: 1-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-3-propyl-urea CAS Name: 1-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-propylurea IUPAC Name: 1-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-3-propylurea Traditional Name: 1-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]-3-propyl-urea Formula: C21H30N5O+ MolecularWeight: 368.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCCNC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C21H29N5O/c1-3-10-23-21(27)24-16-18-8-6-11-22-20(18)26-14-12-25(13-15-26)19-9-5-4-7-17(19)2/h4-9,11H,3,10,12-16H2,1-2H3,(H2,23,24,27)/p+1