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

Systemtic Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[1-oxo-3-(phenylthio)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[3-(phenylthio)propanoyl]amino]propyl-dimethyl-ammonium Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S2/c1-24(2)14-8-15-25(20(26)13-16-28-17-9-5-4-6-10-17)22-23-21-18(27-3)11-7-12-19(21)29-22/h4-7,9-12H,8,13-16H2,1-3H3/p+1