(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile Openeye Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile CAS Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile Traditional Name: (E)-3-(4-piperonylpiperazin-4-ium-1-yl)acrylonitrile Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2/c16-4-1-5-17-6-8-18(9-7-17)11-13-2-3-14-15(10-13)20-12-19-14/h1-3,5,10H,6-9,11-12H2/p+1/b5-1+