N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]-1-phenyl-pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-19-11-13-27(14-12-19)17-21-9-7-20(8-10-21)15-25-24(29)22-16-26-28(18-22)23-5-3-2-4-6-23/h2-10,16,18-19H,11-15,17H2,1H3,(H,25,29)/p+1