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

Systemtic Name: 2-[2-(4-methoxyphenyl)sulfanylethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(4-methoxyphenyl)thio]acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O2S2/c1-15-6-5-7-18-20(15)22-21(28-18)24(13-12-23(2)3)19(25)14-27-17-10-8-16(26-4)9-11-17/h5-11H,12-14H2,1-4H3/p+1