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

Systemtic Name: 3-(8-methoxy-2-methyl-quinolin-5-yl)-1-methyl-6-[(3S)-thiolan-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Openeye Name: 3-(8-methoxy-2-methyl-5-quinolyl)-1-methyl-6-[(3S)-tetrahydrothiophen-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one CAS Name: 3-(8-methoxy-2-methyl-5-quinolinyl)-1-methyl-6-[(3S)-3-thiolanyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one IUPAC Name: 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[(3S)-thiolan-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Traditional Name: 3-(8-methoxy-2-methyl-5-quinolyl)-1-methyl-6-[(3S)-tetrahydrothiophen-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C=C1)C3=CC4=C(CC[NH+](C4)C5CCSC5)N(C3=O)C)OC

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C=C1)C3=CC4=C(CC[NH+](C4)[C@H]5CCSC5)N(C3=O)C)OC

InChI

InChI=1S/C24H27N3O2S/c1-15-4-5-19-18(6-7-22(29-3)23(19)25-15)20-12-16-13-27(17-9-11-30-14-17)10-8-21(16)26(2)24(20)28/h4-7,12,17H,8-11,13-14H2,1-3H3/p+1/t17-/m0/s1