2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=[N+](C(=O)C3=CC=CC=C3N2)C4=NC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=[N+](C(=O)C3=CC=CC=C3N2)C4=NC=C(C=C4)C

InChI

InChI=1S/C23H26N4O2S/c1-15-10-12-26(13-11-15)21(28)17(3)30-23-25-19-7-5-4-6-18(19)22(29)27(23)20-9-8-16(2)14-24-20/h4-9,14-15,17H,10-13H2,1-3H3/p+1/t17-/m0/s1