(E)-3-(1,3-benzodioxol-5-yl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C14H17N2O3+ MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16N2O3/c17-14(16-7-5-15-6-8-16)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9,15H,5-8,10H2/p+1/b4-2+