3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-(4-piperonylpiperazin-4-ium-1-yl)propionitrile Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCC#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCC#N

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+1