6-methyl-2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-(3-pyridylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-(3-pyridinylmethylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-methyl-2-(3-pyridylmethylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C16H17N4S+ MolecularWeight: 297.39798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC3=CN=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC3=CN=CC=C3)C#N

InChI

InChI=1S/C16H16N4S/c1-20-6-4-15-14(10-20)7-13(8-17)16(19-15)21-11-12-3-2-5-18-9-12/h2-3,5,7,9H,4,6,10-11H2,1H3/p+1