5-chloranyl-1,3-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1,3-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1,3-dimethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1,3-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1,3-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Formula: C16H21ClN5O2+ MolecularWeight: 350.82324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)Cl)C

InChI

InChI=1S/C16H20ClN5O2/c1-11-14(15(17)21(2)20-11)16(23)19-10-12-3-4-13(18-9-12)22-5-7-24-8-6-22/h3-4,9H,5-8,10H2,1-2H3,(H,19,23)/p+1