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

Systemtic Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxo-pyridine-3-carboxamide CAS Name: N-[(1,5-dimethyl-4-pyrazolyl)methyl]-2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-6-methyl-4-oxo-3-pyridinecarboxamide IUPAC Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide Traditional Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-keto-6-methyl-nicotinamide Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2CCC[NH+]2CC)C)C(=O)NCC3=C(N(N=C3)C)C

Isomeric SMILES

CCC1=C(C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)NCC3=C(N(N=C3)C)C

InChI

InChI=1S/C22H33N5O2/c1-6-19-21(22(29)23-12-17-13-24-25(5)16(17)4)20(28)11-15(3)27(19)14-18-9-8-10-26(18)7-2/h11,13,18H,6-10,12,14H2,1-5H3,(H,23,29)/p+1/t18-/m0/s1