bis(carboxymethyl)-[2-(carboxymethyloxy)phenyl]-indol-1-yl-azanium

Systemtic Name: bis(carboxymethyl)-[2-(carboxymethyloxy)phenyl]-indol-1-yl-azanium Openeye Name: bis(carboxymethyl)-[2-(carboxymethyloxy)phenyl]-indol-1-yl-ammonium CAS Name: bis(carboxymethyl)-[2-(carboxymethyloxy)phenyl]-(1-indolyl)ammonium IUPAC Name: bis(carboxymethyl)-[2-(carboxymethyloxy)phenyl]-indol-1-ylazanium Traditional Name: bis(carboxymethyl)-[2-(carboxymethyloxy)phenyl]-indol-1-yl-ammonium Formula: C20H19N2O7+ MolecularWeight: 399.37406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2[N+](CC(=O)O)(CC(=O)O)C3=CC=CC=C3OCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2[N+](CC(=O)O)(CC(=O)O)C3=CC=CC=C3OCC(=O)O

InChI

InChI=1S/C20H18N2O7/c23-18(24)11-22(12-19(25)26,21-10-9-14-5-1-2-6-15(14)21)16-7-3-4-8-17(16)29-13-20(27)28/h1-10H,11-13H2,(H2-,23,24,25,26,27,28)/p+1