1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(E)-cinnamyl]piperazin-4-ium Formula: C25H35N3+2 MolecularWeight: 377.5655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CC[NH+](CC2)CC=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3/c1-3-8-23(9-4-1)12-7-15-26-18-20-28(21-19-26)25-13-16-27(17-14-25)22-24-10-5-2-6-11-24/h1-12,25H,13-22H2/p+2/b12-7+