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

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(3,4-diethoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(3,4-diethoxyphenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(3,4-diethoxyphenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CC[NH2+]CC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH2+]CC2)OCC

InChI

InChI=1S/C17H24N2O3/c1-3-21-15-7-5-14(13-16(15)22-4-2)6-8-17(20)19-11-9-18-10-12-19/h5-8,13,18H,3-4,9-12H2,1-2H3/p+1/b8-6+