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

Systemtic Name: (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide CAS Name: (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acrylamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-28-21-10-8-19(22(18-21)29-2)9-11-23(27)24-12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,24,27)/p+1/b11-9+