2-methylsulfanyl-6-(phenylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-6-(phenylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-benzyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-(methylthio)-6-(phenylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-benzyl-2-methylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-benzyl-2-(methylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C17H18N3S+ MolecularWeight: 296.40992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C[NH+](CC2)CC3=CC=CC=C3)C=C1C#N

Isomeric SMILES

CSC1=NC2=C(C[NH+](CC2)CC3=CC=CC=C3)C=C1C#N

InChI

InChI=1S/C17H17N3S/c1-21-17-14(10-18)9-15-12-20(8-7-16(15)19-17)11-13-5-3-2-4-6-13/h2-6,9H,7-8,11-12H2,1H3/p+1