4-iodanyl-2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 4-iodo-2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 4-iodo-2-methyl-N-[4-(1-piperidin-1-iumylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 4-iodo-2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C17H22IN4O+ MolecularWeight: 425.28725

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)I)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C17H21IN4O/c1-21-16(15(18)11-19-21)17(23)20-14-7-5-13(6-8-14)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23)/p+1