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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H30N4O2/c1-23-12-14-24(15-13-23)18(25)20(10-6-3-7-11-20)22-19(26)21-16-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-16H2,1H3,(H2,21,22,26)/p+1