2-[4-(diphenylmethyl)-1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(diphenylmethyl)-1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-benzhydryl-1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(diphenylmethyl)-1-(3-methyl-2H-1,4-benzodioxin-3-yl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-benzhydryl-1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-benzhydryl-1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazin-1-ium-1-yl]ethanol Formula: C28H33N2O3+ MolecularWeight: 445.57322

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC=CC=C2O1)[N+]3(CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCO

Isomeric SMILES

CC1(COC2=CC=CC=C2O1)[N+]3(CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CCO

InChI

InChI=1S/C28H33N2O3/c1-28(22-32-25-14-8-9-15-26(25)33-28)30(20-21-31)18-16-29(17-19-30)27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,27,31H,16-22H2,1H3/q+1