(2S)-1-[(3-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(3-hydroxyphenyl)methyl]-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(3-hydroxyphenyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(3-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(3-hydroxybenzyl)-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=CC=C2)O)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC(=CC=C2)O)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O3/c27-18-7-3-6-17(14-18)16-26-13-5-10-21(26)23(28)25-20-9-1-2-11-22(20)29-19-8-4-12-24-15-19/h1-4,6-9,11-12,14-15,21,27H,5,10,13,16H2,(H,25,28)/p+1/t21-/m0/s1