2-phenacylsulfanyl-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-4-one

Systemtic Name: 2-phenacylsulfanyl-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-4-one Openeye Name: 2-phenacylsulfanyl-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-4-one CAS Name: 2-(phenacylthio)-3-[3-(1-piperidin-1-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-phenacylsulfanyl-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-4-one Traditional Name: 2-(phenacylthio)-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-4-one Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c28-22(19-10-3-1-4-11-19)18-30-24-25-21-13-6-5-12-20(21)23(29)27(24)17-9-16-26-14-7-2-8-15-26/h1,3-6,10-13H,2,7-9,14-18H2/p+1