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

Systemtic Name: N-methyl-4-oxidanylidene-1-phenethyl-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-methyl-4-oxo-1-phenethyl-pyridine-3-carboxamide CAS Name: N-methyl-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-phenethyl-3-pyridinecarboxamide IUPAC Name: N-methyl-4-oxo-1-phenethyl-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]-4-keto-N-methyl-1-phenethyl-nicotinamide Formula: C29H33N4O3+ MolecularWeight: 485.59732

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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)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3/c1-30-28(35)25-21-32(16-14-24-11-6-3-7-12-24)22-26(27(25)34)29(36)33-19-17-31(18-20-33)15-8-13-23-9-4-2-5-10-23/h2-13,21-22H,14-20H2,1H3,(H,30,35)/p+1/b13-8+