2-[(5-chloranylthiophen-2-yl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chlorothiophene-2-carbonyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-chloro-2-thiophenyl)-oxomethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chlorothiophene-2-carbonyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chlorothiophene-2-carbonyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C17H19ClN3O2S2+ MolecularWeight: 396.93466

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H18ClN3O2S2/c1-20(2)8-9-21(16(22)13-6-7-15(18)24-13)17-19-12-5-4-11(23-3)10-14(12)25-17/h4-7,10H,8-9H2,1-3H3/p+1