2-[ethanoyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[ethanoyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[acetyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[acetyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[acetyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[acetyl-[3-(4-methoxyphenyl)sulfonyloxybenzyl]amino]ethyl-dimethyl-ammonium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC[NH+](C)C)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)N(CC[NH+](C)C)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H26N2O5S/c1-16(23)22(13-12-21(2)3)15-17-6-5-7-19(14-17)27-28(24,25)20-10-8-18(26-4)9-11-20/h5-11,14H,12-13,15H2,1-4H3/p+1