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

Systemtic Name: N-propyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-propyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: N-propyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-propyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-5-8-22-19(25)15-23-9-11-24(12-10-23)20(26)7-6-16-13-17(27-2)21(29-4)18(14-16)28-3/h6-7,13-14H,5,8-12,15H2,1-4H3,(H,22,25)/p+1/b7-6+