N-(phenylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H29N3O+2 MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O/c26-22(23-18-21-10-5-2-6-11-21)19-25-16-14-24(15-17-25)13-7-12-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/p+2/b12-7+