3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]dibenzofuran-2-ol CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2-dibenzofuranol IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]dibenzofuran-2-ol Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]dibenzofuran-2-ol Formula: C30H29N2O2+ MolecularWeight: 449.56346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H28N2O2/c33-27-20-26-25-13-7-8-14-28(25)34-29(26)19-24(27)21-31-15-17-32(18-16-31)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,19-20,30,33H,15-18,21H2/p+1