carboxy-ethyl-(4-octoxyphenyl)-(phenylcarbonyl)azanium

Systemtic Name: carboxy-ethyl-(4-octoxyphenyl)-(phenylcarbonyl)azanium Openeye Name: benzoyl-carboxy-ethyl-(4-octoxyphenyl)ammonium CAS Name: benzoyl-carboxy-ethyl-(4-octoxyphenyl)ammonium IUPAC Name: benzoyl-carboxy-ethyl-(4-octoxyphenyl)azanium Traditional Name: benzoyl-carboxy-ethyl-(4-octoxyphenyl)ammonium Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)[N+](CC)(C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)[N+](CC)(C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H31NO4/c1-3-5-6-7-8-12-19-29-22-17-15-21(16-18-22)25(4-2,24(27)28)23(26)20-13-10-9-11-14-20/h9-11,13-18H,3-8,12,19H2,1-2H3/p+1