1-[(2R)-2,6-dimethylhept-5-enyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-[(2R)-2,6-dimethylhept-5-enyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-[(2R)-2,6-dimethylhept-5-enyl]piperazine-1,4-diium CAS Name: 1-[(2R)-2,6-dimethylhept-5-enyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-[(2R)-2,6-dimethylhept-5-enyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-[(2R)-2,6-dimethylhept-5-enyl]piperazine-1,4-diium Formula: C22H36N2+2 MolecularWeight: 328.53464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C[NH+]1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

C[C@H](CCC=C(C)C)C[NH+]1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H34N2/c1-20(2)9-7-10-21(3)19-24-17-15-23(16-18-24)14-8-13-22-11-5-4-6-12-22/h4-6,8-9,11-13,21H,7,10,14-19H2,1-3H3/p+2/b13-8+/t21-/m1/s1