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

Systemtic Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-thiophen-2-ylcarbonyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-[oxo(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(4-mesyl-1,3-benzothiazol-2-yl)-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C17H20N3O3S3+ MolecularWeight: 410.554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H19N3O3S3/c1-19(2)9-10-20(16(21)13-7-5-11-24-13)17-18-15-12(25-17)6-4-8-14(15)26(3,22)23/h4-8,11H,9-10H2,1-3H3/p+1