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

Systemtic Name: N-[(2S)-butan-2-yl]-1-cyclopentyl-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]-1-cyclopentyl-N-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-cyclopentyl-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]-1-cyclopentyl-4-keto-N-[(1S)-1-methylpropyl]nicotinamide Formula: C29H39N4O3+ MolecularWeight: 491.64496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C29H38N4O3/c1-3-22(2)30-28(35)25-20-33(24-13-7-8-14-24)21-26(27(25)34)29(36)32-18-16-31(17-19-32)15-9-12-23-10-5-4-6-11-23/h4-6,9-12,20-22,24H,3,7-8,13-19H2,1-2H3,(H,30,35)/p+1/b12-9+/t22-/m0/s1