N-cyclohexyl-1-cyclopropyl-4-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: N-cyclohexyl-1-cyclopropyl-4-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-cyclohexyl-1-cyclopropyl-4-oxo-pyridine-3-carboxamide CAS Name: N-cyclohexyl-1-cyclopropyl-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-cyclohexyl-1-cyclopropyl-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-cyclohexyl-1-cyclopropyl-4-keto-nicotinamide Formula: C29H37N4O3+ MolecularWeight: 489.62908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C29H36N4O3/c34-27-25(28(35)30-23-11-5-2-6-12-23)20-33(24-13-14-24)21-26(27)29(36)32-18-16-31(17-19-32)15-7-10-22-8-3-1-4-9-22/h1,3-4,7-10,20-21,23-24H,2,5-6,11-19H2,(H,30,35)/p+1/b10-7+