[2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxidanyl-ethyl]-dimethyl-[2-(2-phenoxyethanoylamino)ethyl]azanium hydrochloride

Systemtic Name: [2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxidanyl-ethyl]-dimethyl-[2-(2-phenoxyethanoylamino)ethyl]azanium hydrochloride Openeye Name: [2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-hydroxy-ethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]ammonium hydrochloride CAS Name: [2-[3,4-bis(2,2-dimethyl-1-oxopropoxy)phenyl]-2-hydroxyethyl]-dimethyl-[2-[(1-oxo-2-phenoxyethyl)amino]ethyl]ammonium hydrochloride IUPAC Name: [2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-2-hydroxyethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]azanium hydrochloride Traditional Name: [2-(3,4-dipivaloyloxyphenyl)-2-hydroxy-ethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]ammonium hydrochloride Formula: C30H44ClN2O7+ MolecularWeight: 580.13256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(C[N+](C)(C)CCNC(=O)COC2=CC=CC=C2)O)OC(=O)C(C)(C)C.Cl

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(C[N+](C)(C)CCNC(=O)COC2=CC=CC=C2)O)OC(=O)C(C)(C)C.Cl

InChI

InChI=1S/C30H42N2O7.ClH/c1-29(2,3)27(35)38-24-15-14-21(18-25(24)39-28(36)30(4,5)6)23(33)19-32(7,8)17-16-31-26(34)20-37-22-12-10-9-11-13-22;/h9-15,18,23,33H,16-17,19-20H2,1-8H3;1H/p+1