2-ethyl-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one

Systemtic Name: 2-ethyl-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-ethyl-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one CAS Name: 2-ethyl-6-methyl-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-pyridinone IUPAC Name: 2-ethyl-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-ethyl-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)-4-pyridone Formula: C29H42N4O2+2 MolecularWeight: 478.66938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H40N4O2/c1-3-26-28(27(34)23-24(2)33(26)22-19-30-14-8-5-9-15-30)29(35)32-20-17-31(18-21-32)16-10-13-25-11-6-4-7-12-25/h4,6-7,10-13,23H,3,5,8-9,14-22H2,1-2H3/p+2/b13-10+