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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[2-(4-methoxyphenyl)sulfanylethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[2-[(4-methoxyphenyl)thio]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=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)OC

InChI

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