N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-oxo-1H-quinoline-3-carboxamide Traditional Name: 2-keto-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1H-quinoline-3-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC3=CC=CC=C3NC2=O)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=CC=CC=C3NC2=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O2S/c1-15-8-10-25(11-9-15)19(20-7-4-12-28-20)14-23-21(26)17-13-16-5-2-3-6-18(16)24-22(17)27/h2-7,12-13,15,19H,8-11,14H2,1H3,(H,23,26)(H,24,27)/p+1/t19-/m1/s1