N-(3,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(E)-cinnamyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(E)-cinnamyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-27-20-11-10-19(17-21(20)28-2)23-22(26)25-15-13-24(14-16-25)12-6-9-18-7-4-3-5-8-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)/p+1/b9-6+