(3R)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3R)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3R)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]chromane-3-carboxamide CAS Name: (3R)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3R)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]chroman-3-carboxamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2CC3=CC=CC=C3OC2)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H]2CC3=CC=CC=C3OC2)C4=CC=CS4

InChI

InChI=1S/C22H28N2O2S/c1-16-8-10-24(11-9-16)19(21-7-4-12-27-21)14-23-22(25)18-13-17-5-2-3-6-20(17)26-15-18/h2-7,12,16,18-19H,8-11,13-15H2,1H3,(H,23,25)/p+1/t18-,19-/m1/s1