1-(1-methyl-1-prop-2-ynyl-2H-quinolin-1-ium-6-yl)-3-(2-sulfanylethyl)urea

Systemtic Name: 1-(1-methyl-1-prop-2-ynyl-2H-quinolin-1-ium-6-yl)-3-(2-sulfanylethyl)urea Openeye Name: 1-(1-methyl-1-prop-2-ynyl-2H-quinolin-1-ium-6-yl)-3-(2-sulfanylethyl)urea CAS Name: 1-(2-mercaptoethyl)-3-(1-methyl-1-prop-2-ynyl-2H-quinolin-1-ium-6-yl)urea IUPAC Name: 1-(1-methyl-1-prop-2-ynyl-2H-quinolin-1-ium-6-yl)-3-(2-sulfanylethyl)urea Traditional Name: 1-(2-mercaptoethyl)-3-(1-methyl-1-propargyl-2H-quinolin-1-ium-6-yl)urea Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC=CC2=C1C=CC(=C2)NC(=O)NCCS)CC#C

Isomeric SMILES

C[N+]1(CC=CC2=C1C=CC(=C2)NC(=O)NCCS)CC#C

InChI

InChI=1S/C16H19N3OS/c1-3-9-19(2)10-4-5-13-12-14(6-7-15(13)19)18-16(20)17-8-11-21/h1,4-7,12H,8-11H2,2H3,(H2-,17,18,20,21)/p+1