N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxo-pyridine-3-carboxamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-6-methyl-4-oxo-3-pyridinecarboxamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-keto-6-methyl-nicotinamide Formula: C23H36N5O2+ MolecularWeight: 414.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2CCC[NH+]2CC)C)C(=O)NCCN3C(=CC(=N3)C)C

Isomeric SMILES

CCC1=C(C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)NCCN3C(=CC(=N3)C)C

InChI

InChI=1S/C23H35N5O2/c1-6-20-22(23(30)24-10-12-28-18(5)13-16(3)25-28)21(29)14-17(4)27(20)15-19-9-8-11-26(19)7-2/h13-14,19H,6-12,15H2,1-5H3,(H,24,30)/p+1/t19-/m0/s1