N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CS4

InChI

InChI=1S/C22H27N3O2S2/c1-15-6-9-25(10-7-15)18(20-3-2-11-28-20)14-23-22(27)16-4-5-19-17(13-16)24-21(26)8-12-29-19/h2-5,11,13,15,18H,6-10,12,14H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1