6-methyl-2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-(2-phenoxyethylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-methyl-2-(2-phenoxyethylthio)-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)SCCOC3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCCOC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H19N3OS/c1-21-8-7-17-15(13-21)11-14(12-19)18(20-17)23-10-9-22-16-5-3-2-4-6-16/h2-6,11H,7-10,13H2,1H3/p+1