3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: 3-(4-piperonylpiperazine-1,4-diium-1-yl)propionitrile Formula: C15H21N3O2+2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC#N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC#N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O2/c16-4-1-5-17-6-8-18(9-7-17)11-13-2-3-14-15(10-13)20-12-19-14/h2-3,10H,1,5-9,11-12H2/p+2