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

Systemtic Name: 7-chloranyl-3-(4-methylphenyl)-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]quinazolin-4-one iodide Openeye Name: 7-chloro-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-(p-tolyl)quinazolin-4-one iodide CAS Name: 7-chloro-3-(4-methylphenyl)-2-[2-(1-methyl-1-piperidin-1-iumyl)ethylthio]-4-quinazolinone iodide IUPAC Name: 7-chloro-3-(4-methylphenyl)-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]quinazolin-4-one iodide Traditional Name: 7-chloro-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylthio]-3-(p-tolyl)quinazolin-4-one iodide Formula: C23H27ClIN3OS MolecularWeight: 555.90245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC[N+]4(CCCCC4)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC[N+]4(CCCCC4)C.[I-]

InChI

InChI=1S/C23H27ClN3OS.HI/c1-17-6-9-19(10-7-17)26-22(28)20-11-8-18(24)16-21(20)25-23(26)29-15-14-27(2)12-4-3-5-13-27;/h6-11,16H,3-5,12-15H2,1-2H3;1H/q+1;/p-1