N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-(5-methylpyrazol-1-yl)benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-(5-methylpyrazol-1-yl)benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O/c1-17-10-13-25-28(17)22-8-4-19(5-9-22)23(29)26-21-11-14-27(15-12-21)16-18-2-6-20(24)7-3-18/h2-10,13,21H,11-12,14-16H2,1H3,(H,26,29)/p+1