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

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)N2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H20N2O3/c1-19-13-5-3-4-12(15(13)20-2)6-7-14(18)17-10-8-16-9-11-17/h3-7,16H,8-11H2,1-2H3/p+1/b7-6+