5-ethyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-ethyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide Openeye Name: 5-ethyl-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 5-ethyl-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-(4-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-ethyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: 5-ethyl-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(p-tolyl)pyrazole-4-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C24H30N4O2/c1-3-21-20(16-26-28(21)19-11-9-18(2)10-12-19)24(29)25-17-22(23-8-7-15-30-23)27-13-5-4-6-14-27/h7-12,15-16,22H,3-6,13-14,17H2,1-2H3,(H,25,29)/p+1/t22-/m0/s1