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

Systemtic Name: 1-cyclohexyl-N-methyl-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-cyclohexyl-N-methyl-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclohexyl-N-methyl-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 1-cyclohexyl-N-methyl-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-cyclohexyl-4-keto-N-methyl-nicotinamide Formula: C27H35N4O3+ MolecularWeight: 463.5918

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H34N4O3/c1-28-26(33)23-19-31(22-12-6-3-7-13-22)20-24(25(23)32)27(34)30-17-15-29(16-18-30)14-8-11-21-9-4-2-5-10-21/h2,4-5,8-11,19-20,22H,3,6-7,12-18H2,1H3,(H,28,33)/p+1/b11-8+