N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-oxidanylidene-chromene-6-sulfonamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-oxidanylidene-chromene-6-sulfonamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-oxo-chromene-6-sulfonamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-oxo-1-benzopyran-6-sulfonamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-oxochromene-6-sulfonamide Traditional Name: 2-keto-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]chromene-6-sulfonamide Formula: C21H25N2O4S2+ MolecularWeight: 433.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)C4=CC=CS4

InChI

InChI=1S/C21H24N2O4S2/c1-15-8-10-23(11-9-15)18(20-3-2-12-28-20)14-22-29(25,26)17-5-6-19-16(13-17)4-7-21(24)27-19/h2-7,12-13,15,18,22H,8-11,14H2,1H3/p+1/t18-/m1/s1