[2-[3,4-bis[(4-methylphenyl)carbonyloxy]phenyl]-2-oxidanyl-propyl]-tert-butyl-dimethyl-azanium

Systemtic Name: [2-[3,4-bis[(4-methylphenyl)carbonyloxy]phenyl]-2-oxidanyl-propyl]-tert-butyl-dimethyl-azanium Openeye Name: [2-[3,4-bis[(4-methylbenzoyl)oxy]phenyl]-2-hydroxy-propyl]-tert-butyl-dimethyl-ammonium CAS Name: [2-[3,4-bis[(4-methylphenyl)-oxomethoxy]phenyl]-2-hydroxypropyl]-tert-butyl-dimethylammonium IUPAC Name: [2-[3,4-bis[(4-methylbenzoyl)oxy]phenyl]-2-hydroxypropyl]-tert-butyl-dimethylazanium Traditional Name: [2-[3,4-bis(p-toluoyloxy)phenyl]-2-hydroxy-propyl]-tert-butyl-dimethyl-ammonium Formula: C31H38NO5+ MolecularWeight: 504.63712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C[N+](C)(C)C(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C[N+](C)(C)C(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H38NO5/c1-21-9-13-23(14-10-21)28(33)36-26-18-17-25(31(6,35)20-32(7,8)30(3,4)5)19-27(26)37-29(34)24-15-11-22(2)12-16-24/h9-19,35H,20H2,1-8H3/q+1