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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c1-18-22-16-23(31-25(22)29(27-18)21-10-6-3-7-11-21)24(30)26-20-12-14-28(15-13-20)17-19-8-4-2-5-9-19/h2-11,16,20H,12-15,17H2,1H3,(H,26,30)/p+1