6-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]sesamol Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N2O3/c28-22-16-24-23(29-18-30-24)15-21(22)17-26-11-13-27(14-12-26)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-16,25,28H,11-14,17-18H2/p+1