4-chloranyl-1-ethyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-1-ethyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-1-ethyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 4-chloro-1-ethyl-N-[3-(4-morpholin-4-iumylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-1-ethyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 4-chloro-1-ethyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C[NH+]3CCOCC3)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C[NH+]3CCOCC3)Cl

InChI

InChI=1S/C17H21ClN4O2/c1-2-22-12-15(18)16(20-22)17(23)19-14-5-3-4-13(10-14)11-21-6-8-24-9-7-21/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,23)/p+1