3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-thiophen-2-ylcarbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-thiophen-2-ylcarbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[oxo(thiophen-2-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(thiophene-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-thenoyl)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)Cl)OC)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=CS3

InChI

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