[3-[2-acetyloxy-5-(acetyloxymethyl)phenyl]-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium bromide

Systemtic Name: [3-[2-acetyloxy-5-(acetyloxymethyl)phenyl]-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium bromide Openeye Name: [3-[2-acetoxy-5-(acetoxymethyl)phenyl]-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide CAS Name: [3-[2-acetyloxy-5-(acetyloxymethyl)phenyl]-3-phenylpropyl]-methyl-di(propan-2-yl)ammonium bromide IUPAC Name: [3-[2-acetyloxy-5-(acetyloxymethyl)phenyl]-3-phenylpropyl]-methyl-di(propan-2-yl)azanium bromide Traditional Name: [3-[2-acetoxy-5-(acetoxymethyl)phenyl]-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide Formula: C27H38BrNO4 MolecularWeight: 520.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)COC(=O)C)OC(=O)C)C(C)C.[Br-]

Isomeric SMILES

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)COC(=O)C)OC(=O)C)C(C)C.[Br-]

InChI

InChI=1S/C27H38NO4.BrH/c1-19(2)28(7,20(3)4)16-15-25(24-11-9-8-10-12-24)26-17-23(18-31-21(5)29)13-14-27(26)32-22(6)30;/h8-14,17,19-20,25H,15-16,18H2,1-7H3;1H/q+1;/p-1