(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-phenoxy-3-(4-piperonylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C21H28N2O4+2 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@@H](COC4=CC=CC=C4)O

InChI

InChI=1S/C21H26N2O4/c24-18(15-25-19-4-2-1-3-5-19)14-23-10-8-22(9-11-23)13-17-6-7-20-21(12-17)27-16-26-20/h1-7,12,18,24H,8-11,13-16H2/p+2/t18-/m0/s1