dimethyl-[2-[(4-propan-2-ylsulfonyloxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-propan-2-ylsulfonyloxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]ethyl]azanium Openeye Name: 2-[(4-isopropylsulfonyloxyphenyl)methyl-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[oxo(thiophen-2-yl)methyl]-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-propan-2-ylsulfonyloxyphenyl)methyl-(thiophene-2-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(4-isopropylsulfonyloxybenzyl)-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C19H27N2O4S2+ MolecularWeight: 411.55868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC[NH+](C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC[NH+](C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C19H26N2O4S2/c1-15(2)27(23,24)25-17-9-7-16(8-10-17)14-21(12-11-20(3)4)19(22)18-6-5-13-26-18/h5-10,13,15H,11-12,14H2,1-4H3/p+1