[4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-(heptanoylamino)-dimethyl-azanium

Systemtic Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-(heptanoylamino)-dimethyl-azanium Openeye Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-(heptanoylamino)-dimethyl-ammonium CAS Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-dimethyl-(1-oxoheptylamino)ammonium IUPAC Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-(heptanoylamino)-dimethylazanium Traditional Name: [4-carboxy-3-(4-carboxybenzyl)phenyl]-(enanthylamino)-dimethyl-ammonium Formula: C24H31N2O5+ MolecularWeight: 427.51334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N[N+](C)(C)C1=CC(=C(C=C1)C(=O)O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC(=O)N[N+](C)(C)C1=CC(=C(C=C1)C(=O)O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C24H30N2O5/c1-4-5-6-7-8-22(27)25-26(2,3)20-13-14-21(24(30)31)19(16-20)15-17-9-11-18(12-10-17)23(28)29/h9-14,16H,4-8,15H2,1-3H3,(H2-,25,27,28,29,30,31)/p+1