2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[oxo(thiophen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C18H22N3OS2+ MolecularWeight: 360.51678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3OS2/c1-12-10-14-16(11-13(12)2)24-18(19-14)21(8-7-20(3)4)17(22)15-6-5-9-23-15/h5-6,9-11H,7-8H2,1-4H3/p+1