(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OCC=C

InChI

InChI=1S/C22H25N3O3/c1-3-16-28-20-6-4-18(17-21(20)27-2)5-7-22(26)25-14-12-24(13-15-25)19-8-10-23-11-9-19/h3-11,17H,1,12-16H2,2H3/p+1/b7-5+