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

Systemtic Name: 1-(2-ethoxyphenyl)-3-[1-(4-ethylpiperazin-4-ium-1-yl)carbonylcyclohexyl]urea Openeye Name: 1-(2-ethoxyphenyl)-3-[1-(4-ethylpiperazin-4-ium-1-carbonyl)cyclohexyl]urea CAS Name: 1-(2-ethoxyphenyl)-3-[1-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]cyclohexyl]urea IUPAC Name: 1-(2-ethoxyphenyl)-3-[1-(4-ethylpiperazin-4-ium-1-carbonyl)cyclohexyl]urea Traditional Name: 1-[1-(4-ethylpiperazin-4-ium-1-carbonyl)cyclohexyl]-3-o-phenetyl-urea Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C22H34N4O3/c1-3-25-14-16-26(17-15-25)20(27)22(12-8-5-9-13-22)24-21(28)23-18-10-6-7-11-19(18)29-4-2/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3,(H2,23,24,28)/p+1