4-iodanyl-2-methyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-2-methyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]pyrazole-3-carboxamide Openeye Name: 4-iodo-2-methyl-N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]pyrazole-3-carboxamide CAS Name: 4-iodo-2-methyl-N-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-2-methyl-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]pyrazole-3-carboxamide Traditional Name: 4-iodo-2-methyl-N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]pyrazole-3-carboxamide Formula: C13H22IN4O+ MolecularWeight: 377.24445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)NC(=O)C2=C(C=NN2C)I

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)NC(=O)C2=C(C=NN2C)I

InChI

InChI=1S/C13H21IN4O/c1-10(9-18-6-4-3-5-7-18)16-13(19)12-11(14)8-15-17(12)2/h8,10H,3-7,9H2,1-2H3,(H,16,19)/p+1/t10-/m1/s1