2-(1,3-benzodioxol-5-yl)-4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-(1,3-benzodioxol-5-yl)thiazole Formula: C28H28N3O2S+ MolecularWeight: 470.60582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H27N3O2S/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)31-15-13-30(14-16-31)18-24-19-34-28(29-24)23-11-12-25-26(17-23)33-20-32-25/h1-12,17,19,27H,13-16,18,20H2/p+1