2-(3-azanyl-6-cyclopropyl-2-oxidanylidene-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butanoic acid

Systemtic Name: 2-(3-azanyl-6-cyclopropyl-2-oxidanylidene-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butanoic acid Openeye Name: 2-(3-amino-6-cyclopropyl-2-oxo-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butanoic acid CAS Name: 2-(3-amino-6-cyclopropyl-2-oxo-1-pyridin-1-iumylidene)-3,3-dimethylbutanoic acid IUPAC Name: 2-(3-amino-6-cyclopropyl-2-oxopyridin-1-ium-1-ylidene)-3,3-dimethylbutanoic acid Traditional Name: 2-(3-amino-6-cyclopropyl-2-keto-pyridin-1-ium-1-ylidene)-3,3-dimethyl-butyric acid Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=[N+]1C(=CC=C(C1=O)N)C2CC2)C(=O)O

Isomeric SMILES

CC(C)(C)C(=[N+]1C(=CC=C(C1=O)N)C2CC2)C(=O)O

InChI

InChI=1S/C14H18N2O3/c1-14(2,3)11(13(18)19)16-10(8-4-5-8)7-6-9(15)12(16)17/h6-8H,4-5,15H2,1-3H3/p+1