(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-piperonyloxy-propan-2-ol Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(COCC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C[C@@H](COCC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C28H32N2O4/c31-25(20-32-19-22-11-12-26-27(17-22)34-21-33-26)18-29-13-15-30(16-14-29)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,17,25,28,31H,13-16,18-21H2/p+1/t25-/m0/s1