(2R)-N-(4-pyridin-3-yloxyphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-pyridin-3-yloxyphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3-pyridyloxy)phenyl]-1-(3-thienylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3-pyridinyloxy)phenyl]-1-(3-thiophenylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-pyridin-3-yloxyphenyl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3-pyridyloxy)phenyl]-1-(3-thenyl)piperidin-1-ium-2-carboxamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CSC=C4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C22H23N3O2S/c26-22(21-5-1-2-12-25(21)15-17-10-13-28-16-17)24-18-6-8-19(9-7-18)27-20-4-3-11-23-14-20/h3-4,6-11,13-14,16,21H,1-2,5,12,15H2,(H,24,26)/p+1/t21-/m1/s1