6-(2-methylsulfanylpyridin-3-yl)carbonyl-1-(2-piperidin-1-ium-1-ylethyl)-3-pyridin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one

Systemtic Name: 6-(2-methylsulfanylpyridin-3-yl)carbonyl-1-(2-piperidin-1-ium-1-ylethyl)-3-pyridin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one Openeye Name: 6-(2-methylsulfanylpyridine-3-carbonyl)-1-(2-piperidin-1-ium-1-ylethyl)-3-(4-pyridyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one CAS Name: 6-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one IUPAC Name: 6-(2-methylsulfanylpyridine-3-carbonyl)-1-(2-piperidin-1-ium-1-ylethyl)-3-pyridin-4-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one Traditional Name: 6-[2-(methylthio)nicotinoyl]-1-(2-piperidin-1-ium-1-ylethyl)-3-(4-pyridyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one Formula: C27H32N5O2S+ MolecularWeight: 490.64028

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCC3=C(C2)C=C(C(=O)N3CC[NH+]4CCCCC4)C5=CC=NC=C5

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCC3=C(C2)C=C(C(=O)N3CC[NH+]4CCCCC4)C5=CC=NC=C5

InChI

InChI=1S/C27H31N5O2S/c1-35-25-22(6-5-10-29-25)26(33)31-15-9-24-21(19-31)18-23(20-7-11-28-12-8-20)27(34)32(24)17-16-30-13-3-2-4-14-30/h5-8,10-12,18H,2-4,9,13-17,19H2,1H3/p+1