1-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2-methyl-4-oxo-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-methyl-4-oxo-3-quinazolinyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-2-methyl-quinazolin-3-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-11-17-14-5-3-2-4-13(14)15(20)19(11)10-18-8-6-12(7-9-18)16(21)22/h2-5,12H,6-10H2,1H3,(H,21,22)