2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C21H30ClN2O2+ MolecularWeight: 377.9281

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN2O2/c1-15-4-2-3-5-19(15)23-20(25)14-24-12-10-17(11-13-24)21(26)16-6-8-18(22)9-7-16/h6-9,15,17,19H,2-5,10-14H2,1H3,(H,23,25)/p+1/t15-,19-/m0/s1