(6-morpholin-4-ium-4-yl-4,4-diphenyl-heptan-3-yl) ethanoate chloride

Systemtic Name: (6-morpholin-4-ium-4-yl-4,4-diphenyl-heptan-3-yl) ethanoate chloride Openeye Name: (1-ethyl-4-morpholin-4-ium-4-yl-2,2-diphenyl-pentyl) acetate chloride CAS Name: acetic acid [6-(4-morpholin-4-iumyl)-4,4-diphenylheptan-3-yl] ester chloride IUPAC Name: (6-morpholin-4-ium-4-yl-4,4-diphenylheptan-3-yl) acetate chloride Traditional Name: acetic acid (1-ethyl-4-morpholin-4-ium-4-yl-2,2-diphenyl-pentyl) ester chloride Formula: C25H34ClNO3 MolecularWeight: 431.99536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(C)[NH+]1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C.[Cl-]

Isomeric SMILES

CCC(C(CC(C)[NH+]1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C.[Cl-]

InChI

InChI=1S/C25H33NO3.ClH/c1-4-24(29-21(3)27)25(22-11-7-5-8-12-22,23-13-9-6-10-14-23)19-20(2)26-15-17-28-18-16-26;/h5-14,20,24H,4,15-19H2,1-3H3;1H