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

Systemtic Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O/c28-23(21-16-25-27(18-21)22-7-3-1-4-8-22)24-15-19-9-11-20(12-10-19)17-26-13-5-2-6-14-26/h1,3-4,7-12,16,18H,2,5-6,13-15,17H2,(H,24,28)/p+1