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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetamide Formula: C27H38N4O+2 MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O/c32-27(28-26-13-16-30(17-14-26)22-25-10-5-2-6-11-25)23-31-20-18-29(19-21-31)15-7-12-24-8-3-1-4-9-24/h1-12,26H,13-23H2,(H,28,32)/p+2/b12-7+