3-[methyl(quinolin-1-ium-2-yl)amino]propanethioamide

Systemtic Name: 3-[methyl(quinolin-1-ium-2-yl)amino]propanethioamide Openeye Name: 3-[methyl(quinolin-1-ium-2-yl)amino]propanethioamide CAS Name: 3-[methyl(2-quinolin-1-iumyl)amino]propanethioamide IUPAC Name: 3-[methyl(quinolin-1-ium-2-yl)amino]propanethioamide Traditional Name: 3-[methyl(quinolin-1-ium-2-yl)amino]thiopropionamide Formula: C13H16N3S+ MolecularWeight: 246.35124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=S)N)C1=[NH+]C2=CC=CC=C2C=C1

Isomeric SMILES

CN(CCC(=S)N)C1=[NH+]C2=CC=CC=C2C=C1

InChI

InChI=1S/C13H15N3S/c1-16(9-8-12(14)17)13-7-6-10-4-2-3-5-11(10)15-13/h2-7H,8-9H2,1H3,(H2,14,17)/p+1