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

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(4-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=CC=NC=C4)C

Isomeric SMILES

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

InChI

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