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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(o-tolyl)thiazole CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2-(2-methylphenyl)thiazole IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(2-methylphenyl)-1,3-thiazole Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(o-tolyl)thiazole Formula: C28H30N3S+ MolecularWeight: 440.6229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3S/c1-22-10-8-9-15-26(22)28-29-25(21-32-28)20-30-16-18-31(19-17-30)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15,21,27H,16-20H2,1H3/p+1