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

Systemtic Name: N-(2-methylpropyl)-4-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-isobutyl-1-isopropyl-4-oxo-pyridine-3-carboxamide CAS Name: N-(2-methylpropyl)-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-(2-methylpropyl)-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-1-propan-2-ylpyridine-3-carboxamide Traditional Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-isobutyl-1-isopropyl-4-keto-nicotinamide Formula: C27H37N4O3+ MolecularWeight: 465.60768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H36N4O3/c1-20(2)17-28-26(33)23-18-31(21(3)4)19-24(25(23)32)27(34)30-15-13-29(14-16-30)12-8-11-22-9-6-5-7-10-22/h5-11,18-21H,12-17H2,1-4H3,(H,28,33)/p+1/b11-8+