2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C27H45N4O+3 MolecularWeight: 441.6724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C27H42N4O/c32-26(28-24-27(14-6-2-7-15-27)31-17-8-3-9-18-31)23-30-21-19-29(20-22-30)16-10-13-25-11-4-1-5-12-25/h1,4-5,10-13H,2-3,6-9,14-24H2,(H,28,32)/p+3/b13-10+