2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-7-carbomethoxy-quinazolin-4-olate Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-25-17(24)11-2-3-12-13(8-11)19-14(20-16(12)23)9-21-6-4-10(5-7-21)15(18)22/h2-3,8,10H,4-7,9H2,1H3,(H2,18,22)(H,19,20,23)