3-(3,4-dimethoxyphenyl)-2-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[2-[(2R)-1-methyl-2-piperidin-1-iumyl]ethylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethylthio]quinazolin-4-one Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[NH+]1CCCC[C@@H]1CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H29N3O3S/c1-26-14-7-6-8-17(26)13-15-31-24-25-20-10-5-4-9-19(20)23(28)27(24)18-11-12-21(29-2)22(16-18)30-3/h4-5,9-12,16-17H,6-8,13-15H2,1-3H3/p+1/t17-/m1/s1