[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C19H22N4OS/c1-13-4-5-14(2)23(13)19-20-16-7-6-15(12-17(16)25-19)18(24)22-10-8-21(3)9-11-22/h4-7,12H,8-11H2,1-3H3/p+1