tris(carboxymethyl)-[(4-octylphenyl)methyl]azanium

Systemtic Name: tris(carboxymethyl)-[(4-octylphenyl)methyl]azanium Openeye Name: tris(carboxymethyl)-[(4-octylphenyl)methyl]ammonium CAS Name: tris(carboxymethyl)-[(4-octylphenyl)methyl]ammonium IUPAC Name: tris(carboxymethyl)-[(4-octylphenyl)methyl]azanium Traditional Name: tris(carboxymethyl)-(4-octylbenzyl)ammonium Formula: C21H32NO6+ MolecularWeight: 394.48188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C[N+](CC(=O)O)(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C[N+](CC(=O)O)(CC(=O)O)CC(=O)O

InChI

InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-22(14-19(23)24,15-20(25)26)16-21(27)28/h9-12H,2-8,13-16H2,1H3,(H2-,23,24,25,26,27,28)/p+1