2-(3-azanyl-1,6-dimethyl-2-oxidanylidene-4-phenoxy-pyridin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(3-azanyl-1,6-dimethyl-2-oxidanylidene-4-phenoxy-pyridin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(3-amino-1,6-dimethyl-2-oxo-4-phenoxy-pyridin-1-ium-1-yl)acetic acid CAS Name: 2-(3-amino-1,6-dimethyl-2-oxo-4-phenoxy-1-pyridin-1-iumyl)acetic acid IUPAC Name: 2-(3-amino-1,6-dimethyl-2-oxo-4-phenoxypyridin-1-ium-1-yl)acetic acid Traditional Name: 2-(3-amino-2-keto-1,6-dimethyl-4-phenoxy-pyridin-1-ium-1-yl)acetic acid Formula: C15H17N2O4+ MolecularWeight: 289.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)N)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)N)OC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O4/c1-10-8-12(21-11-6-4-3-5-7-11)14(16)15(20)17(10,2)9-13(18)19/h3-8H,9,16H2,1-2H3/p+1