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

Systemtic Name: carboxy-(4-octoxyphenyl)-phenyl-(phenylcarbonyl)azanium Openeye Name: benzoyl-carboxy-(4-octoxyphenyl)-phenyl-ammonium CAS Name: benzoyl-carboxy-(4-octoxyphenyl)-phenylammonium IUPAC Name: benzoyl-carboxy-(4-octoxyphenyl)-phenylazanium Traditional Name: benzoyl-carboxy-(4-octoxyphenyl)-phenyl-ammonium Formula: C28H32NO4+ MolecularWeight: 446.55798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)[N+](C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)[N+](C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-2-3-4-5-6-13-22-33-26-20-18-25(19-21-26)29(28(31)32,24-16-11-8-12-17-24)27(30)23-14-9-7-10-15-23/h7-12,14-21H,2-6,13,22H2,1H3/p+1