2-(3-methoxy-4-methyl-phenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(3-methoxy-4-methyl-phenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(3-methoxy-4-methyl-phenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(3-methoxy-4-methylphenyl)-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(3-methoxy-4-methylphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(3-methoxy-4-methyl-phenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]acetamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CC2=CC(=C(C=C2)C)OC)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)CC2=CC(=C(C=C2)C)OC)C3=CC=CS3

InChI

InChI=1S/C22H30N2O2S/c1-16-8-10-24(11-9-16)19(21-5-4-12-27-21)15-23-22(25)14-18-7-6-17(2)20(13-18)26-3/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,23,25)/p+1/t19-/m0/s1