4-[(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[(4-oxo-4aH-quinazolin-3-ium-3-yl)methyl]cyclohexanecarboxylic acid CAS Name: 4-[(4-oxo-4aH-quinazolin-3-ium-3-yl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(4-oxo-4aH-quinazolin-3-ium-3-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(4-keto-4aH-quinazolin-3-ium-3-yl)methyl]cyclohexanecarboxylic acid Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C[N+]2=CN=C3C=CC=CC3C2=O)C(=O)O

Isomeric SMILES

C1CC(CCC1C[N+]2=CN=C3C=CC=CC3C2=O)C(=O)O

InChI

InChI=1S/C16H18N2O3/c19-15-13-3-1-2-4-14(13)17-10-18(15)9-11-5-7-12(8-6-11)16(20)21/h1-4,10-13H,5-9H2/p+1