dimethyl-[2-[(3-methylphenyl)carbonyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(3-methylphenyl)carbonyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-methylbenzoyl)-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(3-methylphenyl)-oxomethyl]-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methylbenzoyl)-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Traditional Name: 2-[(6-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

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