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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-ethyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O3/c1-2-17-7-9-18(10-8-17)16(19)6-4-13-3-5-14-15(11-13)21-12-20-14/h3-6,11H,2,7-10,12H2,1H3/p+1/b6-4+