N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-5-(1-piperidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[1-(3-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-5-(piperidin-1-ium-1-ylmethyl)-2-furamide Formula: C23H28ClN4O2+ MolecularWeight: 427.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)Cl)C)NC(=O)C3=CC=C(O3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)Cl)C)NC(=O)C3=CC=C(O3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H27ClN4O2/c1-16-22(17(2)28(26-16)14-18-7-6-8-19(24)13-18)25-23(29)21-10-9-20(30-21)15-27-11-4-3-5-12-27/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,29)/p+1