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

Systemtic Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-(2-phenylethanoyl)azanium Openeye Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-(2-phenylacetyl)ammonium CAS Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-(1-oxo-2-phenylethyl)ammonium IUPAC Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-(2-phenylacetyl)azanium Traditional Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]-methyl-(2-phenylacetyl)ammonium Formula: C18H21N2O5+ MolecularWeight: 345.36974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1=C(C(=CN1)CCC(=O)O)CC(=O)O)C(=O)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C1=C(C(=CN1)CCC(=O)O)CC(=O)O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5/c1-20(15(21)9-12-5-3-2-4-6-12)18-14(10-17(24)25)13(11-19-18)7-8-16(22)23/h2-6,11,19H,7-10H2,1H3,(H,22,23)(H,24,25)/p+1