4-oxidanylidene-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1H-quinazoline-7-carboxylate Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H19N3O3/c24-19-16-8-7-15(20(25)26)11-17(16)21-18(22-19)14-5-3-13(4-6-14)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,25,26)(H,21,22,24)