5-cyclopropyl-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-2-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-cyclopropyl-2-phenylpyrazole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-cyclopropyl-2-phenyl-pyrazole-3-carboxamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c30-25(26-21-13-15-28(16-14-21)18-19-7-3-1-4-8-19)24-17-23(20-11-12-20)27-29(24)22-9-5-2-6-10-22/h1-10,17,20-21H,11-16,18H2,(H,26,30)/p+1