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2-azanyl-6-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonyl-benzoic acid

2-azanyl-6-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonyl-benzoic acid

Systemtic Name:2-azanyl-6-[1-azanyl-1-(carboxymethyl)imidazol-1-ium-2-yl]carbonyl-benzoic acid
Openeye Name:2-amino-6-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]benzoic acid
CAS Name:2-amino-6-[[1-amino-1-(carboxymethyl)-2-imidazol-1-iumyl]-oxomethyl]benzoic acid
IUPAC Name:2-amino-6-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]benzoic acid
Traditional Name:2-amino-6-[1-amino-1-(carboxymethyl)imidazol-1-ium-2-carbonyl]benzoic acid
Formula: C13H13N4O5+
MolecularWeight: 305.26612
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)N)C(=O)O)C(=O)C2=NC=C[N+]2(CC(=O)O)N


Isomeric SMILES

C1=CC(=C(C(=C1)N)C(=O)O)C(=O)C2=NC=C[N+]2(CC(=O)O)N


InChI

InChI=1S/C13H12N4O5/c14-8-3-1-2-7(10(8)13(21)22)11(20)12-16-4-5-17(12,15)6-9(18)19/h1-5H,6,14-15H2,(H-,18,19,21,22)/p+1


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