3-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c1-23(2)12-7-13-24(20(25)15-27-17-8-5-4-6-9-17)21-22-18-11-10-16(26-3)14-19(18)28-21/h4-6,8-11,14H,7,12-13,15H2,1-3H3/p+1