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2-(3H-benzimidazol-1-ium-1-ylmethyl)propanedioic acid

2-(3H-benzimidazol-1-ium-1-ylmethyl)propanedioic acid

Systemtic Name:2-(3H-benzimidazol-1-ium-1-ylmethyl)propanedioic acid
Openeye Name:2-(3H-benzimidazol-1-ium-1-ylmethyl)propanedioic acid
CAS Name:2-(3H-benzimidazol-1-ium-1-ylmethyl)propanedioic acid
IUPAC Name:2-(3H-benzimidazol-1-ium-1-ylmethyl)propanedioic acid
Traditional Name:2-(3H-benzimidazol-1-ium-1-ylmethyl)malonic acid
Formula: C11H11N2O4+
MolecularWeight: 235.21604
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CC(C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CC(C(=O)O)C(=O)O


InChI

InChI=1S/C11H10N2O4/c14-10(15)7(11(16)17)5-13-6-12-8-3-1-2-4-9(8)13/h1-4,6-7H,5H2,(H2,14,15,16,17)/p+1


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