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

Systemtic Name: dimethyl-[2-[2-methylpropanoyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl]azanium Openeye Name: 2-[(4-isopropylsulfonyloxyphenyl)methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(2-methyl-1-oxopropyl)-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[2-methylpropanoyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl]azanium Traditional Name: 2-[isobutyryl-(4-isopropylsulfonyloxybenzyl)amino]ethyl-dimethyl-ammonium Formula: C18H31N2O4S+ MolecularWeight: 371.51474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC[NH+](C)C)CC1=CC=C(C=C1)OS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)N(CC[NH+](C)C)CC1=CC=C(C=C1)OS(=O)(=O)C(C)C

InChI

InChI=1S/C18H30N2O4S/c1-14(2)18(21)20(12-11-19(5)6)13-16-7-9-17(10-8-16)24-25(22,23)15(3)4/h7-10,14-15H,11-13H2,1-6H3/p+1