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

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(2-bromophenyl)methylthio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[(2-bromobenzyl)thio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C17H17BrN3S+ MolecularWeight: 375.30598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC3=CC=CC=C3Br)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC3=CC=CC=C3Br)C#N

InChI

InChI=1S/C17H16BrN3S/c1-21-7-6-16-14(10-21)8-13(9-19)17(20-16)22-11-12-4-2-3-5-15(12)18/h2-5,8H,6-7,10-11H2,1H3/p+1