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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[2-(p-tolylsulfanyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[2-(4-methylphenyl)sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[2-(p-tolylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3OS2/c1-15-8-10-16(11-9-15)25-14-19(24)23(13-12-22(2)3)20-21-17-6-4-5-7-18(17)26-20/h4-11H,12-14H2,1-3H3/p+1