2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-thiophen-2-ylcarbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-thiophen-2-ylcarbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[oxo(thiophen-2-yl)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-thenoyl)amino]ethyl-diethyl-ammonium Formula: C20H26N3OS2+ MolecularWeight: 388.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3OS2/c1-5-22(6-2)11-12-23(19(24)17-8-7-13-25-17)20-21-18-15(4)14(3)9-10-16(18)26-20/h7-10,13H,5-6,11-12H2,1-4H3/p+1