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

Systemtic Name: 3-[1-(1,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Openeye Name: 3-[1-(1,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide CAS Name: 3-[1-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-piperidinyl]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]propanamide IUPAC Name: 3-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propanamide Traditional Name: 3-[1-(1,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]propionamide Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O2/c1-4-25-11-5-6-18(25)15-22-20(27)8-7-17-9-12-26(13-10-17)21(28)19-14-16(2)24(3)23-19/h14,17-18H,4-13,15H2,1-3H3,(H,22,27)/p+1/t18-/m0/s1