(3S)-1-(oxan-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(oxan-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(3-pyridyloxy)phenyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(4-oxanyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(oxan-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(3-pyridyloxy)phenyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C22H27N3O3/c26-22(17-5-4-12-25(16-17)18-9-13-27-14-10-18)24-20-7-1-2-8-21(20)28-19-6-3-11-23-15-19/h1-3,6-8,11,15,17-18H,4-5,9-10,12-14,16H2,(H,24,26)/p+1/t17-/m0/s1