(phenylmethyl) 2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]acetic acid benzyl ester Formula: C25H24N3O2S+ MolecularWeight: 430.54196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-28-13-12-22-21(15-28)24(19-10-6-3-7-11-19)20(14-26)25(27-22)31-17-23(29)30-16-18-8-4-2-5-9-18/h2-11H,12-13,15-17H2,1H3/p+1