3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-keto-1H-quinazoline-4-carboxamide Formula: C22H26ClN4O3+ MolecularWeight: 429.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2(C3=CC=CC=C3NC(=O)N2C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H25ClN4O3/c1-2-26-13-5-6-17(26)14-24-20(28)22(30)18-7-3-4-8-19(18)25-21(29)27(22)16-11-9-15(23)10-12-16/h3-4,7-12,17,30H,2,5-6,13-14H2,1H3,(H,24,28)(H,25,29)/p+1