N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=CC=C4)C

InChI

InChI=1S/C23H27N5O/c1-17-14-18(2)28(26-17)22-7-5-21(6-8-22)25-23(29)20-9-12-27(13-10-20)16-19-4-3-11-24-15-19/h3-8,11,14-15,20H,9-10,12-13,16H2,1-2H3,(H,25,29)/p+1