1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[3-(1-piperidin-1-iumyl)propyl]-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c27-22(23-12-8-15-25-13-5-2-6-14-25)19-17-26(18-9-3-1-4-10-18)24-21(19)20-11-7-16-28-20/h1,3-4,7,9-11,16-17H,2,5-6,8,12-15H2,(H,23,27)/p+1