N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,2-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,2-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,2-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N,2-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide Traditional Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,2-dimethyl-pyrazole-3-carboxamide Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(C)CC2CC[NH+](CC2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(C)CC2CC[NH+](CC2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O/c1-23(20(26)19-7-11-22-24(19)2)15-17-9-13-25(14-10-17)12-8-16-3-5-18(21)6-4-16/h3-7,11,17H,8-10,12-15H2,1-2H3/p+1