(6S,8aS)-6,7,8a-trimethyl-1-oxidanylidene-3-sulfanylidene-5,6,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile

Systemtic Name: (6S,8aS)-6,7,8a-trimethyl-1-oxidanylidene-3-sulfanylidene-5,6,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile Openeye Name: (6S,8aS)-6,7,8a-trimethyl-1-oxo-3-thioxo-5,6,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile CAS Name: (6S,8aS)-6,7,8a-trimethyl-1-oxo-3-sulfanylidene-5,6,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile IUPAC Name: (6S,8aS)-6,7,8a-trimethyl-1-oxo-3-sulfanylidene-5,6,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile Traditional Name: (6S,8aS)-1-keto-6,7,8a-trimethyl-3-thioxo-5,6,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=S)NC(=O)C2(C[NH+]1C)C)C#N

Isomeric SMILES

C[C@H]1CC2=C(C(=S)NC(=O)[C@@]2(C[NH+]1C)C)C#N

InChI

InChI=1S/C12H15N3OS/c1-7-4-9-8(5-13)10(17)14-11(16)12(9,2)6-15(7)3/h7H,4,6H2,1-3H3,(H,14,16,17)/p+1/t7-,12+/m0/s1