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

Systemtic Name: 4-iodanyl-1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 4-iodo-1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 4-iodo-1-methyl-N-[3-(4-morpholin-4-iumylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 4-iodo-1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C16H20IN4O2+ MolecularWeight: 427.26007

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C[NH+]3CCOCC3)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C[NH+]3CCOCC3)I

InChI

InChI=1S/C16H19IN4O2/c1-20-11-14(17)15(19-20)16(22)18-13-4-2-3-12(9-13)10-21-5-7-23-8-6-21/h2-4,9,11H,5-8,10H2,1H3,(H,18,22)/p+1