1-(2-methylpropyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-5-piperidin-1-ylcarbonyl-pyridin-4-one

Systemtic Name: 1-(2-methylpropyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-5-piperidin-1-ylcarbonyl-pyridin-4-one Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-1-isobutyl-5-(piperidine-1-carbonyl)pyridin-4-one CAS Name: 1-(2-methylpropyl)-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-5-[oxo(1-piperidinyl)methyl]-4-pyridinone IUPAC Name: 1-(2-methylpropyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-5-(piperidine-1-carbonyl)pyridin-4-one Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-1-isobutyl-5-(piperidine-1-carbonyl)-4-pyridone Formula: C29H39N4O3+ MolecularWeight: 491.64496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C29H38N4O3/c1-23(2)20-31-21-25(28(35)32-14-7-4-8-15-32)27(34)26(22-31)29(36)33-18-16-30(17-19-33)13-9-12-24-10-5-3-6-11-24/h3,5-6,9-12,21-23H,4,7-8,13-20H2,1-2H3/p+1/b12-9+