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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C22H28N2O3S/c1-16-8-10-24(11-9-16)18(21-3-2-12-28-21)14-23-22(25)7-5-17-4-6-19-20(13-17)27-15-26-19/h2-4,6,12-13,16,18H,5,7-11,14-15H2,1H3,(H,23,25)/p+1/t18-/m1/s1