1-[2-(butylamino)-1,4-dimethyl-5-oxidanyl-benzo[e][1,3]benzothiazol-1-ium-8-yl]ethanone

Systemtic Name: 1-[2-(butylamino)-1,4-dimethyl-5-oxidanyl-benzo[e][1,3]benzothiazol-1-ium-8-yl]ethanone Openeye Name: 1-[2-(butylamino)-5-hydroxy-1,4-dimethyl-benzo[e][1,3]benzothiazol-1-ium-8-yl]ethanone CAS Name: 1-[2-(butylamino)-5-hydroxy-1,4-dimethyl-8-benzo[e][1,3]benzothiazol-1-iumyl]ethanone IUPAC Name: 1-[2-(butylamino)-5-hydroxy-1,4-dimethylbenzo[e][1,3]benzothiazol-1-ium-8-yl]ethanone Traditional Name: 1-[2-(butylamino)-5-hydroxy-1,4-dimethyl-benzo[e][1,3]benzothiazol-1-ium-8-yl]ethanone Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](C2=C(S1)C(=C(C3=C2C=C(C=C3)C(=O)C)O)C)C

Isomeric SMILES

CCCCNC1=[N+](C2=C(S1)C(=C(C3=C2C=C(C=C3)C(=O)C)O)C)C

InChI

InChI=1S/C19H22N2O2S/c1-5-6-9-20-19-21(4)16-15-10-13(12(3)22)7-8-14(15)17(23)11(2)18(16)24-19/h7-8,10,23H,5-6,9H2,1-4H3/p+1