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

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: (2S)-1-(4-piperonylpiperazin-4-ium-1-yl)-3-propargyloxy-propan-2-ol Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C#CCOC[C@H](CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H24N2O4/c1-2-9-22-13-16(21)12-20-7-5-19(6-8-20)11-15-3-4-17-18(10-15)24-14-23-17/h1,3-4,10,16,21H,5-9,11-14H2/p+1/t16-/m0/s1