phenethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium chloride

Systemtic Name: phenethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium chloride Openeye Name: phenethyl-bis[2-(propylcarbamoyloxy)ethyl]ammonium chloride CAS Name: bis[2-[oxo(propylamino)methoxy]ethyl]-phenethylammonium chloride IUPAC Name: phenethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium chloride Traditional Name: phenethyl-bis[2-(propylcarbamoyloxy)ethyl]ammonium chloride Formula: C20H34ClN3O4 MolecularWeight: 415.95466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCC[NH+](CCC1=CC=CC=C1)CCOC(=O)NCCC.[Cl-]

Isomeric SMILES

CCCNC(=O)OCC[NH+](CCC1=CC=CC=C1)CCOC(=O)NCCC.[Cl-]

InChI

InChI=1S/C20H33N3O4.ClH/c1-3-11-21-19(24)26-16-14-23(13-10-18-8-6-5-7-9-18)15-17-27-20(25)22-12-4-2;/h5-9H,3-4,10-17H2,1-2H3,(H,21,24)(H,22,25);1H