1-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonylnaphthalene-2-carboxylic acid

Systemtic Name: 1-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonylnaphthalene-2-carboxylic acid Openeye Name: 1-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]naphthalene-2-carboxylic acid CAS Name: 1-[[1-amino-1-(carboxymethyl)-2-imidazol-1-iumyl]-oxomethyl]-2-naphthalenecarboxylic acid IUPAC Name: 1-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]naphthalene-2-carboxylic acid Traditional Name: 1-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]-2-naphthoic acid Formula: C17H14N3O5+ MolecularWeight: 340.31016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C(=O)C3=NC=C[N+]3(CC(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C(=O)C3=NC=C[N+]3(CC(=O)O)N)C(=O)O

InChI

InChI=1S/C17H13N3O5/c18-20(9-13(21)22)8-7-19-16(20)15(23)14-11-4-2-1-3-10(11)5-6-12(14)17(24)25/h1-8H,9,18H2,(H-,21,22,24,25)/p+1