[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-azanium; 2-phenylethanoic acid

Systemtic Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-azanium; 2-phenylethanoic acid Openeye Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-ammonium; 2-phenylacetic acid CAS Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methylammonium; 2-phenylacetic acid IUPAC Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methylazanium; 2-phenylacetic acid Traditional Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-ammonium; 2-phenylacetic acid Formula: C18H23N2O6+ MolecularWeight: 363.38502

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=C(C(=CN1)CCC(=O)O)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

C[NH2+]C1=C(C(=CN1)CCC(=O)O)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C10H14N2O4.C8H8O2/c1-11-10-7(4-9(15)16)6(5-12-10)2-3-8(13)14;9-8(10)6-7-4-2-1-3-5-7/h5,11-12H,2-4H2,1H3,(H,13,14)(H,15,16);1-5H,6H2,(H,9,10)/p+1