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methyl 2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

methyl 2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name:methyl 2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate
Openeye Name:methyl 2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate
CAS Name:2-[(4-methyl-1-pyridin-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
IUPAC Name:methyl 2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate
Traditional Name:4-keto-2-[(4-methylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester
Formula: C17H16N3O3+
MolecularWeight: 310.32724
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC


Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC


InChI

InChI=1S/C17H15N3O3/c1-11-5-7-20(8-6-11)10-15-18-14-9-12(17(22)23-2)3-4-13(14)16(21)19-15/h3-9H,10H2,1-2H3/p+1


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