2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonylpropanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(p-tolylsulfonyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfonylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(3-tosylpropanoyl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O3S2+ MolecularWeight: 460.6326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)C)C

InChI

InChI=1S/C23H29N3O3S2/c1-16-6-10-19(11-7-16)31(28,29)15-12-20(27)26(14-13-25(4)5)23-24-21-17(2)8-9-18(3)22(21)30-23/h6-11H,12-15H2,1-5H3/p+1