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2-[3,3-dimethylbutanoyl-[(3-ethylsulfonyloxy-4-methoxy-phenyl)methyl]amino]ethyl-dimethyl-azanium

2-[3,3-dimethylbutanoyl-[(3-ethylsulfonyloxy-4-methoxy-phenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name:2-[3,3-dimethylbutanoyl-[(3-ethylsulfonyloxy-4-methoxy-phenyl)methyl]amino]ethyl-dimethyl-azanium
Openeye Name:2-[3,3-dimethylbutanoyl-[(3-ethylsulfonyloxy-4-methoxy-phenyl)methyl]amino]ethyl-dimethyl-ammonium
CAS Name:2-[(3,3-dimethyl-1-oxobutyl)-[(3-ethylsulfonyloxy-4-methoxyphenyl)methyl]amino]ethyl-dimethylammonium
IUPAC Name:2-[3,3-dimethylbutanoyl-[(3-ethylsulfonyloxy-4-methoxyphenyl)methyl]amino]ethyl-dimethylazanium
Traditional Name:2-[3,3-dimethylbutanoyl-(3-esyloxy-4-methoxy-benzyl)amino]ethyl-dimethyl-ammonium
Formula: C20H35N2O5S+
MolecularWeight: 415.5673
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC[NH+](C)C)C(=O)CC(C)(C)C)OC


Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC[NH+](C)C)C(=O)CC(C)(C)C)OC


InChI

InChI=1S/C20H34N2O5S/c1-8-28(24,25)27-18-13-16(9-10-17(18)26-7)15-22(12-11-21(5)6)19(23)14-20(2,3)4/h9-10,13H,8,11-12,14-15H2,1-7H3/p+1


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