2-[(5-bromanylthiophen-2-yl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-bromothiophene-2-carbonyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-bromothiophene-2-carbonyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-bromothiophene-2-carbonyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C18H21BrN3O2S2+ MolecularWeight: 455.41224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H20BrN3O2S2/c1-11-5-6-12(24-4)15-16(11)26-18(20-15)22(10-9-21(2)3)17(23)13-7-8-14(19)25-13/h5-8H,9-10H2,1-4H3/p+1