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1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]pyridin-1-ium-3-carboxamide

1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name:1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]pyridin-1-ium-3-carboxamide
Openeye Name:1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]pyridin-1-ium-3-carboxamide
CAS Name:1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-pyridin-1-iumcarboxamide
IUPAC Name:1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]pyridin-1-ium-3-carboxamide
Traditional Name:1-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]pyridin-1-ium-3-carboxamide
Formula: C17H17N4O4+
MolecularWeight: 341.34128
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[N+]3=CC=CC(=C3)C(=O)N)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[N+]3=CC=CC(=C3)C(=O)N)OC


InChI

InChI=1S/C17H16N4O4/c1-24-13-6-11-12(7-14(13)25-2)19-15(20-17(11)23)9-21-5-3-4-10(8-21)16(18)22/h3-8H,9H2,1-2H3,(H2-,18,19,20,22,23)/p+1


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