1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c31-26(27-21-13-15-29(16-14-21)18-20-8-3-1-4-9-20)23-19-30(22-10-5-2-6-11-22)28-25(23)24-12-7-17-32-24/h1-12,17,19,21H,13-16,18H2,(H,27,31)/p+1