(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(3-pyridinylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-2-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)C3CCCC[NH+]3CC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[NH+]3CC4=CN=CC=C4)C

InChI

InChI=1S/C23H27N5O/c1-17-14-18(2)28(26-17)21-10-8-20(9-11-21)25-23(29)22-7-3-4-13-27(22)16-19-6-5-12-24-15-19/h5-6,8-12,14-15,22H,3-4,7,13,16H2,1-2H3,(H,25,29)/p+1/t22-/m1/s1