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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(2-pyridyl)thiazole CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2-(2-pyridinyl)thiazole IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-pyridin-2-yl-1,3-thiazole Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(2-pyridyl)thiazole Formula: C26H27N4S+ MolecularWeight: 427.58438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4S/c1-3-9-21(10-4-1)25(22-11-5-2-6-12-22)30-17-15-29(16-18-30)19-23-20-31-26(28-23)24-13-7-8-14-27-24/h1-14,20,25H,15-19H2/p+1