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

Systemtic Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C19H21N3OS/c1-15-6-2-3-7-16(15)21-12-10-20(11-13-21)14-22-17-8-4-5-9-18(17)23-19(22)24/h2-9H,10-14H2,1H3/p+1