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

Systemtic Name: 1-(2-ethoxyphenyl)-3-[1-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexyl]urea Openeye Name: 1-(2-ethoxyphenyl)-3-[1-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]urea CAS Name: 1-(2-ethoxyphenyl)-3-[1-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]cyclohexyl]urea IUPAC Name: 1-(2-ethoxyphenyl)-3-[1-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]urea Traditional Name: 1-[1-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]-3-o-phenetyl-urea Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H32N4O3/c1-3-28-18-10-6-5-9-17(18)22-20(27)23-21(11-7-4-8-12-21)19(26)25-15-13-24(2)14-16-25/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H2,22,23,27)/p+1