1-methyl-6-[(2S)-1-methylsulfanylpropan-2-yl]-3-quinolin-6-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one

Systemtic Name: 1-methyl-6-[(2S)-1-methylsulfanylpropan-2-yl]-3-quinolin-6-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Openeye Name: 1-methyl-6-[(1S)-1-methyl-2-methylsulfanyl-ethyl]-3-(6-quinolyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one CAS Name: 1-methyl-6-[(2S)-1-(methylthio)propan-2-yl]-3-(6-quinolinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one IUPAC Name: 1-methyl-6-[(2S)-1-methylsulfanylpropan-2-yl]-3-quinolin-6-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Traditional Name: 1-methyl-6-[(1S)-1-methyl-2-(methylthio)ethyl]-3-(6-quinolyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC2=C(C1)C=C(C(=O)N2C)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC2=C(C1)C=C(C(=O)N2C)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-15(14-27-3)25-10-8-21-18(13-25)12-19(22(26)24(21)2)16-6-7-20-17(11-16)5-4-9-23-20/h4-7,9,11-12,15H,8,10,13-14H2,1-3H3/p+1/t15-/m0/s1