N-[2-(4-methylphenoxy)phenyl]-2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-methylphenoxy)phenyl]-2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide CAS Name: 2-[(3S)-3-hydroxy-1-piperidin-1-iumyl]-N-[2-(4-methylphenoxy)phenyl]acetamide IUPAC Name: 2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide Traditional Name: 2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C20H24N2O3/c1-15-8-10-17(11-9-15)25-19-7-3-2-6-18(19)21-20(24)14-22-12-4-5-16(23)13-22/h2-3,6-11,16,23H,4-5,12-14H2,1H3,(H,21,24)/p+1/t16-/m0/s1