6-methyl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-(phenacylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-methyl-2-(phenacylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS/c1-21-8-7-16-15(11-21)9-14(10-19)18(20-16)23-12-17(22)13-5-3-2-4-6-13/h2-6,9H,7-8,11-12H2,1H3/p+1