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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC

InChI

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