2-(4-nitrophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-nitrophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-nitrophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-nitrophenyl)-5-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-nitrophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-nitrophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c29-23(24-13-16-26-14-5-2-6-15-26)22-17-21(18-7-3-1-4-8-18)25-27(22)19-9-11-20(12-10-19)28(30)31/h1,3-4,7-12,17H,2,5-6,13-16H2,(H,24,29)/p+1