(E)-3-(3,4-diethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(3,4-diethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide CAS Name: (E)-3-(3,4-diethoxyphenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(3,4-diethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acrylamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OCC

InChI

InChI=1S/C25H33N3O3/c1-3-30-23-12-10-21(20-24(23)31-4-2)11-13-25(29)26-14-15-27-16-18-28(19-17-27)22-8-6-5-7-9-22/h5-13,20H,3-4,14-19H2,1-2H3,(H,26,29)/p+1/b13-11+