3-methyl-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-methyl-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-1-phenyl-N-(1-propyl-4-piperidin-1-iumyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-methyl-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4OS/c1-3-11-24-12-9-16(10-13-24)22-20(26)19-14-18-15(2)23-25(21(18)27-19)17-7-5-4-6-8-17/h4-8,14,16H,3,9-13H2,1-2H3,(H,22,26)/p+1