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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=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/c1-4-5-13-28-26(33)23-19-31(21(2)3)20-24(25(23)32)27(34)30-17-15-29(16-18-30)14-9-12-22-10-7-6-8-11-22/h6-12,19-21H,4-5,13-18H2,1-3H3,(H,28,33)/p+1/b12-9+