3-[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[(3R)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one Formula: C20H35N4O2+ MolecularWeight: 363.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCOCC3

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCOCC3

InChI

InChI=1S/C20H34N4O2/c1-16(2)12-18-13-19(22-21-18)15-23-7-3-4-17(14-23)5-6-20(25)24-8-10-26-11-9-24/h13,16-17H,3-12,14-15H2,1-2H3,(H,21,22)/p+1/t17-/m1/s1