(1-methylpiperidin-4-yl) 2-cyclohexyl-2-oxidanyl-4-phenyl-but-3-ynoate hydrochloride

Systemtic Name: (1-methylpiperidin-4-yl) 2-cyclohexyl-2-oxidanyl-4-phenyl-but-3-ynoate hydrochloride Openeye Name: (1-methyl-4-piperidyl) 2-cyclohexyl-2-hydroxy-4-phenyl-but-3-ynoate hydrochloride CAS Name: 2-cyclohexyl-2-hydroxy-4-phenyl-3-butynoic acid (1-methyl-4-piperidinyl) ester hydrochloride IUPAC Name: (1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxy-4-phenylbut-3-ynoate hydrochloride Traditional Name: 2-cyclohexyl-2-hydroxy-4-phenyl-but-3-ynoic acid (1-methyl-4-piperidyl) ester hydrochloride Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(=O)C(C#CC2=CC=CC=C2)(C3CCCCC3)O.Cl

Isomeric SMILES

CN1CCC(CC1)OC(=O)C(C#CC2=CC=CC=C2)(C3CCCCC3)O.Cl

InChI

InChI=1S/C22H29NO3.ClH/c1-23-16-13-20(14-17-23)26-21(24)22(25,19-10-6-3-7-11-19)15-12-18-8-4-2-5-9-18;/h2,4-5,8-9,19-20,25H,3,6-7,10-11,13-14,16-17H2,1H3;1H