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

Systemtic Name: 1-(3-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Openeye Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Traditional Name: 1-[[6-(4-methylpiperazino)pyridin-1-ium-3-yl]methyl]-3-(m-tolyl)urea Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C19H25N5O/c1-15-4-3-5-17(12-15)22-19(25)21-14-16-6-7-18(20-13-16)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11,14H2,1-2H3,(H2,21,22,25)/p+1