(E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H27N3O3/c1-24-12-14-25(15-13-24)19-7-5-18(6-8-19)23-22(26)11-4-17-16-20(27-2)9-10-21(17)28-3/h4-11,16H,12-15H2,1-3H3,(H,23,26)/p+1/b11-4+