6-chloranyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-quinazolin-4-one iodide

Systemtic Name: 6-chloranyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-quinazolin-4-one iodide Openeye Name: 6-chloro-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-quinazolin-4-one iodide CAS Name: 6-chloro-2-[2-(1-methyl-1-piperidin-1-iumyl)ethylthio]-3-phenyl-4-quinazolinone iodide IUPAC Name: 6-chloro-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylquinazolin-4-one iodide Traditional Name: 6-chloro-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylthio]-3-phenyl-quinazolin-4-one iodide Formula: C22H25ClIN3OS MolecularWeight: 541.87587

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H25ClN3OS.HI/c1-26(12-6-3-7-13-26)14-15-28-22-24-20-11-10-17(23)16-19(20)21(27)25(22)18-8-4-2-5-9-18;/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3;1H/q+1;/p-1