1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-piperonyl-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C17H21N3O2+2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H19N3O2/c1-2-6-18-17(3-1)20-9-7-19(8-10-20)12-14-4-5-15-16(11-14)22-13-21-15/h1-6,11H,7-10,12-13H2/p+2