2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]quinazolin-4-one Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC

InChI

InChI=1S/C25H29N3O3S/c1-4-27-13-7-8-20(27)15-28-24(30)21-9-5-6-10-22(21)26-25(28)32-16-19-14-18(17(2)29)11-12-23(19)31-3/h5-6,9-12,14,20H,4,7-8,13,15-16H2,1-3H3/p+1/t20-/m1/s1