dimethyl-[2-[(3-methylphenyl)carbonyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(3-methylphenyl)carbonyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-methylbenzoyl)-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(3-methylphenyl)-oxomethyl]-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methylbenzoyl)-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Traditional Name: 2-[(4-mesyl-1,3-benzothiazol-2-yl)-m-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S2/c1-14-7-5-8-15(13-14)19(24)23(12-11-22(2)3)20-21-18-16(27-20)9-6-10-17(18)28(4,25)26/h5-10,13H,11-12H2,1-4H3/p+1