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

Systemtic Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N,6-dimethyl-N-[(4-methylthiazol-2-yl)methyl]-4-oxo-pyridine-3-carboxamide CAS Name: 2-ethyl-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-N,6-dimethyl-N-[(4-methyl-2-thiazolyl)methyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide Traditional Name: 2-ethyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-keto-N,6-dimethyl-N-[(4-methylthiazol-2-yl)methyl]nicotinamide Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2CCC[NH+]2CC)C)C(=O)N(C)CC3=NC(=CS3)C

Isomeric SMILES

CCC1=C(C(=O)C=C(N1C[C@@H]2CCC[NH+]2CC)C)C(=O)N(C)CC3=NC(=CS3)C

InChI

InChI=1S/C22H32N4O2S/c1-6-18-21(22(28)24(5)13-20-23-15(3)14-29-20)19(27)11-16(4)26(18)12-17-9-8-10-25(17)7-2/h11,14,17H,6-10,12-13H2,1-5H3/p+1/t17-/m0/s1