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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(3-chlorophenyl)methylthio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[(3-chlorobenzyl)thio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C17H17ClN3S+ MolecularWeight: 330.85498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3S/c1-21-6-5-16-14(10-21)8-13(9-19)17(20-16)22-11-12-3-2-4-15(18)7-12/h2-4,7-8H,5-6,10-11H2,1H3/p+1