4-(acetyloxymethyl)-2-[3-[(2-methoxy-2-oxidanylidene-ethyl)-di(propan-2-yl)azaniumyl]-1-phenyl-propyl]phenolate

Systemtic Name: 4-(acetyloxymethyl)-2-[3-[(2-methoxy-2-oxidanylidene-ethyl)-di(propan-2-yl)azaniumyl]-1-phenyl-propyl]phenolate Openeye Name: 4-(acetoxymethyl)-2-[3-[diisopropyl-(2-methoxy-2-oxo-ethyl)ammonio]-1-phenyl-propyl]phenolate CAS Name: 4-(acetyloxymethyl)-2-[3-[(2-methoxy-2-oxoethyl)-di(propan-2-yl)ammonio]-1-phenylpropyl]phenolate IUPAC Name: 4-(acetyloxymethyl)-2-[3-[(2-methoxy-2-oxoethyl)-di(propan-2-yl)azaniumyl]-1-phenylpropyl]phenolate Traditional Name: 4-(acetoxymethyl)-2-[3-[diisopropyl-(2-keto-2-methoxy-ethyl)ammonio]-1-phenyl-propyl]phenolate Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO5/c1-19(2)28(20(3)4,17-27(31)32-6)15-14-24(23-10-8-7-9-11-23)25-16-22(12-13-26(25)30)18-33-21(5)29/h7-13,16,19-20,24H,14-15,17-18H2,1-6H3