3-(5-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide Openeye Name: 3-(5-bromo-2-thienyl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide CAS Name: 3-(5-bromo-2-thiophenyl)-2-(2,4-dichlorophenyl)-N-(1-methyl-1-piperidin-1-iumyl)-3,4-dihydropyrazole-5-carboxamide IUPAC Name: 3-(5-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide Traditional Name: 5-(5-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-2-pyrazoline-3-carboxamide Formula: C20H22BrCl2N4OS+ MolecularWeight: 517.28988

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)NC(=O)C2=NN(C(C2)C3=CC=C(S3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C[N+]1(CCCCC1)NC(=O)C2=NN(C(C2)C3=CC=C(S3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H21BrCl2N4OS/c1-27(9-3-2-4-10-27)25-20(28)15-12-17(18-7-8-19(21)29-18)26(24-15)16-6-5-13(22)11-14(16)23/h5-8,11,17H,2-4,9-10,12H2,1H3/p+1