2-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-acetamido-4-(p-tolylsulfanyl)benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-acetamido-4-[(4-methylphenyl)thio]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-acetamido-4-(4-methylphenyl)sulfanylbenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-acetamido-4-(p-tolylthio)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)NC(=O)C

InChI

InChI=1S/C20H25N3O2S/c1-14-5-8-17(9-6-14)26-19-10-7-16(13-18(19)22-15(2)24)20(25)21-11-12-23(3)4/h5-10,13H,11-12H2,1-4H3,(H,21,25)(H,22,24)/p+1