4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzonitrile Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1C[NH+](CCC1O)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C15H20N2O3/c16-9-12-1-3-15(4-2-12)20-11-14(19)10-17-7-5-13(18)6-8-17/h1-4,13-14,18-19H,5-8,10-11H2/p+1/t14-/m0/s1