2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C[NH+](CC2)C)C=C1C#N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C[NH+](CC2)C)C=C1C#N

InChI

InChI=1S/C16H21N3OS/c1-16(2,3)14(20)10-21-15-11(8-17)7-12-9-19(4)6-5-13(12)18-15/h7H,5-6,9-10H2,1-4H3/p+1