3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one chloride

Systemtic Name: 3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one chloride Openeye Name: 3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one chloride CAS Name: 3-phenyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone chloride IUPAC Name: 3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one chloride Traditional Name: 3-phenyl-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one chloride Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H23N3OS.ClH/c25-20-18-11-5-6-12-19(18)22-21(24(20)17-9-3-1-4-10-17)26-16-15-23-13-7-2-8-14-23;/h1,3-6,9-12H,2,7-8,13-16H2;1H