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

Systemtic Name: 4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzonitrile Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C15H20N2O2/c16-10-13-4-6-15(7-5-13)19-12-14(18)11-17-8-2-1-3-9-17/h4-7,14,18H,1-3,8-9,11-12H2/p+1/t14-/m0/s1