1-[(7-methoxy-4-oxidanylidene-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(7-methoxy-4-oxidanylidene-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(7-methoxy-4-oxo-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(7-methoxy-4-oxo-3-quinazolinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-keto-7-methoxy-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C=N2)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C=N2)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C16H20N4O3/c1-23-12-2-3-13-14(8-12)18-9-20(16(13)22)10-19-6-4-11(5-7-19)15(17)21/h2-3,8-9,11H,4-7,10H2,1H3,(H2,17,21)/p+1