1-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-2-pyrrolidin-1-iumyl]methyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Traditional Name: 1-piperonyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]piperazin-1-ium Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H]([NH2+]C1)CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H25N3O2/c1-2-15(18-5-1)12-20-8-6-19(7-9-20)11-14-3-4-16-17(10-14)22-13-21-16/h3-4,10,15,18H,1-2,5-9,11-13H2/p+2/t15-/m0/s1