N-tert-butyl-2-[4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-3-(2,5-dimethoxyphenyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C=CC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)22-19(25)15-23-10-12-24(13-11-23)20(26)9-6-16-14-17(27-4)7-8-18(16)28-5/h6-9,14H,10-13,15H2,1-5H3,(H,22,25)/p+1/b9-6+