methyl 4-oxidanylidene-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-4-14(5-2)15-8-10-24(11-9-15)13-19-22-18-12-16(21(26)27-3)6-7-17(18)20(25)23-19/h6-12,14H,4-5,13H2,1-3H3/p+1