N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-2-sulfanyl-benzamide

Systemtic Name: N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-2-sulfanyl-benzamide Openeye Name: N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-2-sulfanyl-benzamide CAS Name: 2-mercapto-N-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)benzamide IUPAC Name: N-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)-2-sulfanylbenzamide Traditional Name: 2-mercapto-N-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)benzamide Formula: C20H17N2OS+ MolecularWeight: 333.42678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)C3=CC=CC=C3S)CC#C

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)C3=CC=CC=C3S)CC#C

InChI

InChI=1S/C20H16N2OS/c1-3-12-22-14(2)8-9-15-13-16(10-11-18(15)22)21-20(23)17-6-4-5-7-19(17)24/h1,4-11,13H,12H2,2H3,(H-,21,23,24)/p+1