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

Systemtic Name: N-(1-adamantyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide Formula: C25H37N3O+2 MolecularWeight: 395.58078

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O/c29-24(26-25-16-21-13-22(17-25)15-23(14-21)18-25)19-28-11-9-27(10-12-28)8-4-7-20-5-2-1-3-6-20/h1-7,21-23H,8-19H2,(H,26,29)/p+2/b7-4+