N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C23H32N3O3S2+ MolecularWeight: 462.64848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c1-17-9-12-25(13-10-17)21(22-6-4-14-30-22)16-24-23(27)19-7-8-20-18(15-19)5-3-11-26(20)31(2,28)29/h4,6-8,14-15,17,21H,3,5,9-13,16H2,1-2H3,(H,24,27)/p+1/t21-/m1/s1