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

Systemtic Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole Openeye Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-(o-tolyl)thiazole CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-(2-methylphenyl)thiazole IUPAC Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole Traditional Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-(o-tolyl)thiazole Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H25N3OS/c1-17-6-3-4-9-21(17)22-23-18(16-27-22)15-24-10-12-25(13-11-24)19-7-5-8-20(14-19)26-2/h3-9,14,16H,10-13,15H2,1-2H3/p+1