(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OCC=C

InChI

InChI=1S/C23H27N3O3/c1-3-16-29-21-6-4-19(17-22(21)28-2)5-7-23(27)26-14-12-25(13-15-26)18-20-8-10-24-11-9-20/h3-11,17H,1,12-16,18H2,2H3/p+1/b7-5+