[5-[(4-ethoxycarbonylphenyl)carbonylamino]-5-phenyl-pentyl]-diethyl-azanium chloride

Systemtic Name: [5-[(4-ethoxycarbonylphenyl)carbonylamino]-5-phenyl-pentyl]-diethyl-azanium chloride Openeye Name: [5-[(4-ethoxycarbonylbenzoyl)amino]-5-phenyl-pentyl]-diethyl-ammonium chloride CAS Name: [5-[[(4-ethoxycarbonylphenyl)-oxomethyl]amino]-5-phenylpentyl]-diethylammonium chloride IUPAC Name: [5-[(4-ethoxycarbonylbenzoyl)amino]-5-phenylpentyl]-diethylazanium chloride Traditional Name: [5-[(4-carbethoxybenzoyl)amino]-5-phenyl-pentyl]-diethyl-ammonium chloride Formula: C25H35ClN2O3 MolecularWeight: 447.01

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)OCC.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)OCC.[Cl-]

InChI

InChI=1S/C25H34N2O3.ClH/c1-4-27(5-2)19-11-10-14-23(20-12-8-7-9-13-20)26-24(28)21-15-17-22(18-16-21)25(29)30-6-3;/h7-9,12-13,15-18,23H,4-6,10-11,14,19H2,1-3H3,(H,26,28);1H