N-(5,8-dimethyl-1,8-naphthyridin-8-ium-2-yl)ethanamide; 4-methylbenzenesulfonate

Systemtic Name: N-(5,8-dimethyl-1,8-naphthyridin-8-ium-2-yl)ethanamide; 4-methylbenzenesulfonate Openeye Name: N-(5,8-dimethyl-1,8-naphthyridin-8-ium-2-yl)acetamide; 4-methylbenzenesulfonate CAS Name: N-(5,8-dimethyl-1,8-naphthyridin-8-ium-2-yl)acetamide; 4-methylbenzenesulfonate IUPAC Name: N-(5,8-dimethyl-1,8-naphthyridin-8-ium-2-yl)acetamide; 4-methylbenzenesulfonate Traditional Name: N-(5,8-dimethyl-1,8-naphthyridin-8-ium-2-yl)acetamide tosylate Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C2C=CC(=NC2=[N+](C=C1)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C2C=CC(=NC2=[N+](C=C1)C)NC(=O)C

InChI

InChI=1S/C12H13N3O.C7H8O3S/c1-8-6-7-15(3)12-10(8)4-5-11(14-12)13-9(2)16;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)