N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1C2=CC=C(C=C2)O)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

C[C@]1(CCCC[C@@H]1C2=CC=C(C=C2)O)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O2/c1-20(21-19(24)15-22-13-5-2-6-14-22)12-4-3-7-18(20)16-8-10-17(23)11-9-16/h8-11,18,23H,2-7,12-15H2,1H3,(H,21,24)/p+1/t18-,20-/m1/s1