[(1S)-1-(4-methoxyphenyl)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-methoxyphenyl)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-methoxyphenyl)-2-[3-(p-tolylsulfonyl)propanoylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-methoxyphenyl)-2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-methoxyphenyl)-2-[3-(4-methylphenyl)sulfonylpropanoylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-methoxyphenyl)-2-(3-tosylpropanoylamino)ethyl]-dimethyl-ammonium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+](C)C

InChI

InChI=1S/C21H28N2O4S/c1-16-5-11-19(12-6-16)28(25,26)14-13-21(24)22-15-20(23(2)3)17-7-9-18(27-4)10-8-17/h5-12,20H,13-15H2,1-4H3,(H,22,24)/p+1/t20-/m1/s1