dimethyl-[2-methyl-3,5-bis(2-methylpropyl)-3-phenoxy-oxolan-2-yl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[2-methyl-3,5-bis(2-methylpropyl)-3-phenoxy-oxolan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-(3,5-diisobutyl-2-methyl-3-phenoxy-tetrahydrofuran-2-yl)-dimethyl-ammonium CAS Name: dimethyl-[2-methyl-3,5-bis(2-methylpropyl)-3-phenoxy-2-oxolanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[2-methyl-3,5-bis(2-methylpropyl)-3-phenoxyoxolan-2-yl]azanium Traditional Name: benzyl-(3,5-diisobutyl-2-methyl-3-phenoxy-tetrahydrofuran-2-yl)-dimethyl-ammonium Formula: C28H42NO2+ MolecularWeight: 424.63858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(C(O1)(C)[N+](C)(C)CC2=CC=CC=C2)(CC(C)C)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1CC(C(O1)(C)[N+](C)(C)CC2=CC=CC=C2)(CC(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C28H42NO2/c1-22(2)18-26-20-28(19-23(3)4,31-25-16-12-9-13-17-25)27(5,30-26)29(6,7)21-24-14-10-8-11-15-24/h8-17,22-23,26H,18-21H2,1-7H3/q+1