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

Systemtic Name: 1-(4-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-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]urea IUPAC Name: 1-(4-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-(p-tolyl)urea Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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