1-(3-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]urea Openeye Name: 1-[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]urea Traditional Name: 1-[6-(4-methylpiperazino)pyridin-1-ium-3-yl]-3-(m-tolyl)urea Formula: C18H24N5O+ MolecularWeight: 326.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=C[NH+]=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=C[NH+]=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C18H23N5O/c1-14-4-3-5-15(12-14)20-18(24)21-16-6-7-17(19-13-16)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H2,20,21,24)/p+1