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

Systemtic Name: (2S)-1-[(5-ethanoylthiophen-3-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(5-acetyl-3-thiophenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(5-acetylthiophen-3-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-[4-(3-pyridyloxy)phenyl]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=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-17(28)23-13-18(16-31-23)15-27-12-3-2-6-22(27)24(29)26-19-7-9-20(10-8-19)30-21-5-4-11-25-14-21/h4-5,7-11,13-14,16,22H,2-3,6,12,15H2,1H3,(H,26,29)/p+1/t22-/m0/s1