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

Systemtic Name: 4-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propoxy]benzonitrile IUPAC Name: 4-[(2R)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzonitrile Formula: C22H27N2O2+ MolecularWeight: 351.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C[C@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H26N2O2/c23-15-20-6-8-22(9-7-20)26-17-21(25)16-24-12-10-19(11-13-24)14-18-4-2-1-3-5-18/h1-9,19,21,25H,10-14,16-17H2/p+1/t21-/m1/s1