(2S)-1-[(5-ethanoylthiophen-3-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(5-ethanoylthiophen-3-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(5-acetyl-3-thiophenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(5-acetylthiophen-3-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c1-17(28)22-13-18(16-31-22)15-27-12-6-5-9-21(27)24(29)26-19-10-11-23(25-14-19)30-20-7-3-2-4-8-20/h2-4,7-8,10-11,13-14,16,21H,5-6,9,12,15H2,1H3,(H,26,29)/p+1/t21-/m0/s1