N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O4/c29-23(26-24(30)25-20-8-9-21-22(17-20)32-16-15-31-21)18-28-13-11-27(12-14-28)10-4-7-19-5-2-1-3-6-19/h1-9,17H,10-16,18H2,(H2,25,26,29,30)/p+1/b7-4+