butan-2-yl 4-[1-(methylcarbamoyl)piperazin-2-yl]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: butan-2-yl 4-[1-(methylcarbamoyl)piperazin-2-yl]cyclohexane-1-carboxylate dihydrochloride Openeye Name: sec-butyl 4-[1-(methylcarbamoyl)piperazin-2-yl]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[1-(methylcarbamoyl)-2-piperazinyl]-1-cyclohexanecarboxylic acid butan-2-yl ester dihydrochloride IUPAC Name: butan-2-yl 4-[1-(methylcarbamoyl)piperazin-2-yl]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[1-(methylcarbamoyl)piperazin-2-yl]cyclohexanecarboxylic acid sec-butyl ester dihydrochloride Formula: C17H33Cl2N3O3 MolecularWeight: 398.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1CCC(CC1)C2CNCCN2C(=O)NC.Cl.Cl

Isomeric SMILES

CCC(C)OC(=O)C1CCC(CC1)C2CNCCN2C(=O)NC.Cl.Cl

InChI

InChI=1S/C17H31N3O3.2ClH/c1-4-12(2)23-16(21)14-7-5-13(6-8-14)15-11-19-9-10-20(15)17(22)18-3;;/h12-15,19H,4-11H2,1-3H3,(H,18,22);2*1H