2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H22N3S+ MolecularWeight: 324.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3S/c1-15-6-2-4-8-17(15)22-12-10-21(11-13-22)14-19-20-16-7-3-5-9-18(16)23-19/h2-9H,10-14H2,1H3/p+1