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

Systemtic Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]prop-2-enenitrile hydrochloride Openeye Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]prop-2-enenitrile hydrochloride CAS Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-propenenitrile hydrochloride IUPAC Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]prop-2-enenitrile hydrochloride Traditional Name: (E)-3-(4-piperonylpiperazino)acrylonitrile hydrochloride Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C=CC#N.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)/C=C/C#N.Cl

InChI

InChI=1S/C15H17N3O2.ClH/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;1H/b5-1+;