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

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-18-16-19(2)28(26-18)23-10-8-22(9-11-23)25-24(29)21-12-14-27(15-13-21)17-20-6-4-3-5-7-20/h3-11,16,21H,12-15,17H2,1-2H3,(H,25,29)/p+1