N-(1,3-benzodioxol-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propionamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O3/c27-23(24-20-8-9-21-22(17-20)29-18-28-21)10-12-26-15-13-25(14-16-26)11-4-7-19-5-2-1-3-6-19/h1-9,17H,10-16,18H2,(H,24,27)/p+1/b7-4+