1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C28H30N5O+ MolecularWeight: 452.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O/c34-28(30-18-22-11-13-23(14-12-22)20-32-16-5-2-6-17-32)26-21-33(25-9-3-1-4-10-25)31-27(26)24-8-7-15-29-19-24/h1,3-4,7-15,19,21H,2,5-6,16-18,20H2,(H,30,34)/p+1