1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-3-yl)-3-(2-sulfanylethyl)urea

Systemtic Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-3-yl)-3-(2-sulfanylethyl)urea Openeye Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-3-yl)-3-(2-sulfanylethyl)urea CAS Name: 1-(2-mercaptoethyl)-3-(2-methyl-1-prop-2-ynyl-3-quinolin-1-iumyl)urea IUPAC Name: 1-(2-methyl-1-prop-2-ynylquinolin-1-ium-3-yl)-3-(2-sulfanylethyl)urea Traditional Name: 1-(2-mercaptoethyl)-3-(2-methyl-1-propargyl-quinolin-1-ium-3-yl)urea Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1NC(=O)NCCS)CC#C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1NC(=O)NCCS)CC#C

InChI

InChI=1S/C16H17N3OS/c1-3-9-19-12(2)14(18-16(20)17-8-10-21)11-13-6-4-5-7-15(13)19/h1,4-7,11H,8-10H2,2H3,(H2-,17,18,20,21)/p+1