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

Systemtic Name: 3-(3-ethanoylphenyl)-1-methyl-6-[(3S)-thiolan-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Openeye Name: 3-(3-acetylphenyl)-1-methyl-6-[(3S)-tetrahydrothiophen-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one CAS Name: 3-(3-acetylphenyl)-1-methyl-6-[(3S)-3-thiolanyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one IUPAC Name: 3-(3-acetylphenyl)-1-methyl-6-[(3S)-thiolan-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Traditional Name: 3-(3-acetylphenyl)-1-methyl-6-[(3S)-tetrahydrothiophen-3-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-one Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=CC3=C(CC[NH+](C3)C4CCSC4)N(C2=O)C

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=CC3=C(CC[NH+](C3)[C@H]4CCSC4)N(C2=O)C

InChI

InChI=1S/C21H24N2O2S/c1-14(24)15-4-3-5-16(10-15)19-11-17-12-23(18-7-9-26-13-18)8-6-20(17)22(2)21(19)25/h3-5,10-11,18H,6-9,12-13H2,1-2H3/p+1/t18-/m0/s1