3-[1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide

Systemtic Name: 3-[1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonylpiperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Openeye Name: 3-[1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-4-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide CAS Name: 3-[1-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-4-piperidinyl]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]propanamide IUPAC Name: 3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Traditional Name: 3-[1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-4-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propionamide Formula: C22H38N5O2+ MolecularWeight: 404.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CCN(CC2)C(=O)C3=CC(=NN3CC)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CCN(CC2)C(=O)C3=CC(=NN3CC)C

InChI

InChI=1S/C22H37N5O2/c1-4-25-12-6-7-19(25)16-23-21(28)9-8-18-10-13-26(14-11-18)22(29)20-15-17(3)24-27(20)5-2/h15,18-19H,4-14,16H2,1-3H3,(H,23,28)/p+1/t19-/m0/s1