1-(2-methylphenyl)-3-[1-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexyl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[1-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexyl]urea Openeye Name: 1-[1-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[1-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]cyclohexyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[1-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]urea Traditional Name: 1-[1-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]-3-(o-tolyl)urea Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H30N4O2/c1-16-8-4-5-9-17(16)21-19(26)22-20(10-6-3-7-11-20)18(25)24-14-12-23(2)13-15-24/h4-5,8-9H,3,6-7,10-15H2,1-2H3,(H2,21,22,26)/p+1