3-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[1-oxo-4-(phenylthio)butyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[4-(phenylthio)butanoyl]amino]propyl-dimethyl-ammonium Formula: C23H30N3O2S2+ MolecularWeight: 444.6332

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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)CCCSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S2/c1-25(2)14-8-15-26(22(27)11-7-16-29-19-9-5-4-6-10-19)23-24-20-13-12-18(28-3)17-21(20)30-23/h4-6,9-10,12-13,17H,7-8,11,14-16H2,1-3H3/p+1