2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H26N4O3S/c30-23(20-16-26-21-8-3-1-6-18(20)21)17-33-25-27-22-9-4-2-7-19(22)24(31)29(25)11-5-10-28-12-14-32-15-13-28/h1-4,6-9,16,26H,5,10-15,17H2/p+1