4-(5-methylpyrazol-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(5-methylpyrazol-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(5-methylpyrazol-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(5-methyl-1-pyrazolyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(5-methylpyrazol-1-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(5-methylpyrazol-1-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O/c1-19-13-14-26-28(19)23-11-9-20(10-12-23)24(29)25-17-21-7-3-4-8-22(21)18-27-15-5-2-6-16-27/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,25,29)/p+1