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

Systemtic Name: N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine Openeye Name: N-(4-methoxyphenyl)-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiazol-2-amine CAS Name: N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-2-thiazolamine IUPAC Name: N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine Traditional Name: (4-methoxyphenyl)-[4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]amine Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CSC(=N3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CSC(=N3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4OS/c1-17-5-3-4-6-21(17)26-13-11-25(12-14-26)15-19-16-28-22(24-19)23-18-7-9-20(27-2)10-8-18/h3-10,16H,11-15H2,1-2H3,(H,23,24)/p+1