2-[3-[(4-ethoxyphenyl)-(phenylcarbonyl)amino]propanoylamino]ethyl-dimethyl-azanium; 2-oxidanylbenzoate

Systemtic Name: 2-[3-[(4-ethoxyphenyl)-(phenylcarbonyl)amino]propanoylamino]ethyl-dimethyl-azanium; 2-oxidanylbenzoate Openeye Name: 2-[3-(N-benzoyl-4-ethoxy-anilino)propanoylamino]ethyl-dimethyl-ammonium; 2-hydroxybenzoate CAS Name: 2-[[3-(N-benzoyl-4-ethoxyanilino)-1-oxopropyl]amino]ethyl-dimethylammonium; 2-hydroxybenzoate IUPAC Name: 2-[3-(N-benzoyl-4-ethoxyanilino)propanoylamino]ethyl-dimethylazanium; 2-hydroxybenzoate Traditional Name: 2-[3-(N-benzoyl-4-ethoxy-anilino)propanoylamino]ethyl-dimethyl-ammonium; salicylate Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC(=O)NCC[NH+](C)C)C(=O)C2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC(=O)NCC[NH+](C)C)C(=O)C2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C22H29N3O3.C7H6O3/c1-4-28-20-12-10-19(11-13-20)25(22(27)18-8-6-5-7-9-18)16-14-21(26)23-15-17-24(2)3;8-6-4-2-1-3-5(6)7(9)10/h5-13H,4,14-17H2,1-3H3,(H,23,26);1-4,8H,(H,9,10)