2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-17-6-2-3-7-18(17)14-24-10-12-25(13-11-24)22(26)16-27-15-21-23-19-8-4-5-9-20(19)28-21/h2-9H,10-16H2,1H3/p+1