(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acrylamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OCC=C

InChI

InChI=1S/C25H31N3O3/c1-3-19-31-23-11-9-21(20-24(23)30-2)10-12-25(29)26-13-14-27-15-17-28(18-16-27)22-7-5-4-6-8-22/h3-12,20H,1,13-19H2,2H3,(H,26,29)/p+1/b12-10+