2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-methyl-2-(p-anisylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c1-21-8-7-17-15(11-21)9-14(10-19)18(20-17)23-12-13-3-5-16(22-2)6-4-13/h3-6,9H,7-8,11-12H2,1-2H3/p+1