ethyl (3S)-1-[(2-methyl-5-oxidanylidene-pyrazolo[1,5-a]quinazolin-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-methyl-5-oxidanylidene-pyrazolo[1,5-a]quinazolin-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-methyl-5-oxo-pyrazolo[1,5-a]quinazolin-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2-methyl-5-oxo-4-pyrazolo[1,5-a]quinazolinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-keto-2-methyl-pyrazolo[1,5-a]quinazolin-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=CC(=NN3C4=CC=CC=C4C2=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C3=CC(=NN3C4=CC=CC=C4C2=O)C

InChI

InChI=1S/C20H24N4O3/c1-3-27-20(26)15-7-6-10-22(12-15)13-23-18-11-14(2)21-24(18)17-9-5-4-8-16(17)19(23)25/h4-5,8-9,11,15H,3,6-7,10,12-13H2,1-2H3/p+1/t15-/m0/s1