N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H26N4OS/c1-17-9-11-25(12-10-17)20(21-8-5-13-28-21)15-23-22(27)18-14-24-26(16-18)19-6-3-2-4-7-19/h2-8,13-14,16-17,20H,9-12,15H2,1H3,(H,23,27)/p+1/t20-/m1/s1