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

Systemtic Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-dimethyl-(octanoylamino)azanium Openeye Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-dimethyl-(octanoylamino)ammonium CAS Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-dimethyl-(1-oxooctylamino)ammonium IUPAC Name: [4-carboxy-3-[(4-carboxyphenyl)methyl]phenyl]-dimethyl-(octanoylamino)azanium Traditional Name: (caprylylamino)-[4-carboxy-3-(4-carboxybenzyl)phenyl]-dimethyl-ammonium Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5/c1-4-5-6-7-8-9-23(28)26-27(2,3)21-14-15-22(25(31)32)20(17-21)16-18-10-12-19(13-11-18)24(29)30/h10-15,17H,4-9,16H2,1-3H3,(H2-,26,28,29,30,31,32)/p+1