methyl 2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C18H23N3O3/c1-11-6-12(2)9-21(8-11)10-16-19-15-7-13(18(23)24-3)4-5-14(15)17(22)20-16/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,19,20,22)/p+1/t11-,12+