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

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1,3-diphenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1,3-diphenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-1,3-diphenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1,3-diphenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1,3-diphenyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC3=C(S2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC3=C(S2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c1-27-15-13-19(14-16-27)28(2)24(30)22-17-21-23(18-9-5-3-6-10-18)26-29(25(21)31-22)20-11-7-4-8-12-20/h3-12,17,19H,13-16H2,1-2H3/p+1