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

Systemtic Name: 3,5-dimethyl-1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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