3-phenyl-1-(phenylmethyl)-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 3-phenyl-1-(phenylmethyl)-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide CAS Name: 3-phenyl-1-(phenylmethyl)-N-[3-(1-piperidin-1-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c30-25(26-15-10-18-28-16-8-3-9-17-28)23-20-29(19-21-11-4-1-5-12-21)27-24(23)22-13-6-2-7-14-22/h1-2,4-7,11-14,20H,3,8-10,15-19H2,(H,26,30)/p+1