[(2S)-2-(3,5-ditert-butylphenyl)carbonyloxypropyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-2-(3,5-ditert-butylphenyl)carbonyloxypropyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-(3,5-ditert-butylbenzoyl)oxypropyl]-methyl-ammonium CAS Name: [(2S)-2-[(3,5-ditert-butylphenyl)-oxomethoxy]propyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-(3,5-ditert-butylbenzoyl)oxypropyl]-methylazanium Traditional Name: benzyl-[(2S)-2-(3,5-ditert-butylbenzoyl)oxypropyl]-methyl-ammonium Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)CC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

C[C@@H](C[NH+](C)CC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C26H37NO2/c1-19(17-27(8)18-20-12-10-9-11-13-20)29-24(28)21-14-22(25(2,3)4)16-23(15-21)26(5,6)7/h9-16,19H,17-18H2,1-8H3/p+1/t19-/m0/s1