2-[(5-chloranyl-2-ethylsulfonyloxy-phenyl)methyl-(3-methylbutanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranyl-2-ethylsulfonyloxy-phenyl)methyl-(3-methylbutanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-2-ethylsulfonyloxy-phenyl)methyl-(3-methylbutanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl-(3-methyl-1-oxobutyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl-(3-methylbutanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-2-esyloxy-benzyl)-isovaleryl-amino]ethyl-dimethyl-ammonium Formula: C18H30ClN2O4S+ MolecularWeight: 405.9598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O4S/c1-6-26(23,24)25-17-8-7-16(19)12-15(17)13-21(10-9-20(4)5)18(22)11-14(2)3/h7-8,12,14H,6,9-11,13H2,1-5H3/p+1