1-(2-chlorophenyl)-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 1-(2-chlorophenyl)-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 1-(2-chlorophenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 1-(2-chlorophenyl)-3-methyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 1-(2-chlorophenyl)-3-methyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 1-(2-chlorophenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3CC[NH+](CC3)C(C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3CC[NH+](CC3)C(C)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H25ClN4OS/c1-13(2)25-10-8-15(9-11-25)23-20(27)19-12-16-14(3)24-26(21(16)28-19)18-7-5-4-6-17(18)22/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,27)/p+1