3,4-diethoxy-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-3,4-diethoxy-benzamide CAS Name: 3,4-diethoxy-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 3,4-diethoxy-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-3,4-diethoxy-benzamide Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OCC

InChI

InChI=1S/C26H33N3O4/c1-3-32-23-13-12-22(19-24(23)33-4-2)26(31)27-20-25(30)29-17-15-28(16-18-29)14-8-11-21-9-6-5-7-10-21/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,27,31)/p+1/b11-8+