(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-naphthyloxy)propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: (2S)-1-(2-naphthoxy)-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@@H](COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C25H28N2O4/c28-22(17-29-23-7-6-20-3-1-2-4-21(20)14-23)16-27-11-9-26(10-12-27)15-19-5-8-24-25(13-19)31-18-30-24/h1-8,13-14,22,28H,9-12,15-18H2/p+1/t22-/m0/s1