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

Systemtic Name: 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-(m-tolylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-[(3-methylphenyl)methylthio]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-methyl-2-[(3-methylbenzyl)thio]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C18H20N3S+ MolecularWeight: 310.4365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C[NH+](CC3)C)C=C2C#N

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C[NH+](CC3)C)C=C2C#N

InChI

InChI=1S/C18H19N3S/c1-13-4-3-5-14(8-13)12-22-18-15(10-19)9-16-11-21(2)7-6-17(16)20-18/h3-5,8-9H,6-7,11-12H2,1-2H3/p+1