1-(2-methylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]urea Openeye Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]urea Traditional Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-(o-tolyl)urea Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N4O/c1-14-6-3-4-7-15(14)18-16(21)17-8-5-9-20-12-10-19(2)11-13-20/h3-4,6-7H,5,8-13H2,1-2H3,(H2,17,18,21)/p+2