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

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-acetylphenyl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-acetylphenyl)methyl]-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-acetylphenyl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-acetylbenzyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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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(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2/c1-18-15-19(2)30(28-18)25-9-7-24(8-10-25)27-26(32)22-11-13-29(14-12-22)17-21-5-4-6-23(16-21)20(3)31/h4-10,15-16,22H,11-14,17H2,1-3H3,(H,27,32)/p+1