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

Systemtic Name: N-(1-adamantylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide Formula: C26H39N3O+2 MolecularWeight: 409.60736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O/c30-25(27-20-26-16-22-13-23(17-26)15-24(14-22)18-26)19-29-11-9-28(10-12-29)8-4-7-21-5-2-1-3-6-21/h1-7,22-24H,8-20H2,(H,27,30)/p+2/b7-4+