(2S)-1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxamide Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCCC3C(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCC[C@H]3C(=O)N)OC

InChI

InChI=1S/C17H22N4O4/c1-24-13-7-10-11(8-14(13)25-2)19-15(20-17(10)23)9-21-6-4-3-5-12(21)16(18)22/h7-8,12H,3-6,9H2,1-2H3,(H2,18,22)(H,19,20,23)/p+1/t12-/m0/s1