3-[(5-chloranylthiophen-2-yl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-chlorothiophene-2-carbonyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-chloro-2-thiophenyl)-oxomethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-chlorothiophene-2-carbonyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-chlorothiophene-2-carbonyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C18H21ClN3O2S2+ MolecularWeight: 410.96124

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H20ClN3O2S2/c1-21(2)10-5-11-22(17(23)14-8-9-15(19)25-14)18-20-16-12(24-3)6-4-7-13(16)26-18/h4,6-9H,5,10-11H2,1-3H3/p+1