N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(6-chloro-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[6-chloro-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(6-chloro-4-pyrrolidino-quinazolin-2-yl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2C=C(C=C3)Cl)CNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2C=C(C=C3)Cl)CNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C19H18ClN5O2/c20-14-5-6-16-15(10-14)18(24-7-1-2-8-24)23-17(22-16)11-21-19(26)13-4-3-9-25(27)12-13/h3-6,9-10,12H,1-2,7-8,11H2,(H,21,26)