(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-methyl-ammonium CAS Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-carbamoyl-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]-methylazanium Traditional Name: benzyl-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-methyl-ammonium Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+](C)CC2=CC=CC=C2)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+](C)CC2=CC=CC=C2)C(=O)N)C

InChI

InChI=1S/C17H21N3OS/c1-12-9-13(2)20(17(22)15(12)16(18)21)11-19(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3,(H2,18,21)/p+1