(2S)-1-[(5-ethanoylthiophen-3-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(5-ethanoylthiophen-3-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(5-acetyl-3-thiophenyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(5-acetylthiophen-3-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H24N4O2S/c1-16(27)21-13-17(15-29-21)14-25-11-3-2-5-20(25)22(28)24-18-6-8-19(9-7-18)26-12-4-10-23-26/h4,6-10,12-13,15,20H,2-3,5,11,14H2,1H3,(H,24,28)/p+1/t20-/m0/s1