2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O2S/c1-22-10-12-23(13-11-22)19(24)14-25-16-8-6-15(7-9-16)20-21-17-4-2-3-5-18(17)26-20/h2-9H,10-14H2,1H3/p+1