N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide Formula: C17H21ClN5O2+ MolecularWeight: 362.83394

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)CC(=O)N

InChI

InChI=1S/C17H20ClN5O2/c18-12-3-1-11(2-4-12)16-14(9-20-22-16)17(25)21-13-5-7-23(8-6-13)10-15(19)24/h1-4,9,13H,5-8,10H2,(H2,19,24)(H,20,22)(H,21,25)/p+1