3-(3,5-dimethoxyphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(3,5-dimethoxyphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(3,5-dimethoxyphenyl)-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(3,5-dimethoxyphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCC2=CC(=CC(=C2)OC)OC)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)CCC2=CC(=CC(=C2)OC)OC)C3=CC=CS3

InChI

InChI=1S/C23H32N2O3S/c1-17-8-10-25(11-9-17)21(22-5-4-12-29-22)16-24-23(26)7-6-18-13-19(27-2)15-20(14-18)28-3/h4-5,12-15,17,21H,6-11,16H2,1-3H3,(H,24,26)/p+1/t21-/m0/s1