N-tert-butyl-2-[4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-22(2,3)24-20(27)16-25-10-12-26(13-11-25)21(28)8-6-17-5-7-18(30-14-9-23)19(15-17)29-4/h5-8,15H,10-14,16H2,1-4H3,(H,24,27)/p+1/b8-6+