1-ethoxyethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)azanium; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; chloride

Systemtic Name: 1-ethoxyethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)azanium; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; chloride Openeye Name: 1-ethoxyethyl-diisobutyl-(1-methyl-1-phenyl-ethyl)ammonium; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; chloride CAS Name: 1-ethoxyethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)ammonium; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; chloride IUPAC Name: 1-ethoxyethyl-bis(2-methylpropyl)-(2-phenylpropan-2-yl)azanium; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; chloride Traditional Name: cumyl-(1-ethoxyethyl)-diisobutyl-ammonium; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; chloride Formula: C27H42ClNO2 MolecularWeight: 448.08088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)[N+](CC(C)C)(CC(C)C)C(C)(C)C1=CC=CC=C1.C1=CC2=CC=C1O2.[Cl-]

Isomeric SMILES

CCOC(C)[N+](CC(C)C)(CC(C)C)C(C)(C)C1=CC=CC=C1.C1=CC2=CC=C1O2.[Cl-]

InChI

InChI=1S/C21H38NO.C6H4O.ClH/c1-9-23-19(6)22(15-17(2)3,16-18(4)5)21(7,8)20-13-11-10-12-14-20;1-2-6-4-3-5(1)7-6;/h10-14,17-19H,9,15-16H2,1-8H3;1-4H;1H/q+1;;/p-1