6-methyl-1-methylidene-2-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pyridin-1-ium-4-carboxylic acid

Systemtic Name: 6-methyl-1-methylidene-2-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pyridin-1-ium-4-carboxylic acid Openeye Name: 3-[(2-benzyloxy-2-oxo-ethyl)amino]-6-methyl-1-methylene-2-oxo-pyridin-1-ium-4-carboxylic acid CAS Name: 6-methyl-1-methylene-2-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]-4-pyridin-1-iumcarboxylic acid IUPAC Name: 6-methyl-1-methylidene-2-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]pyridin-1-ium-4-carboxylic acid Traditional Name: 3-[(2-benzoxy-2-keto-ethyl)amino]-2-keto-6-methyl-1-methylene-pyridin-1-ium-4-carboxylic acid Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1=C)NCC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1=C)NCC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H16N2O5/c1-11-8-13(17(22)23)15(16(21)19(11)2)18-9-14(20)24-10-12-6-4-3-5-7-12/h3-8,18H,2,9-10H2,1H3/p+1