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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-(m-anisylthio)-6-methyl-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(=CC=C3)OC)C#N

Isomeric SMILES

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

InChI

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