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

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

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

Isomeric SMILES

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

InChI

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