2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]ethanamide

Systemtic Name: 2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]ethanamide Openeye Name: 2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide CAS Name: 2-[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-N-[4-(3-methylphenoxy)phenyl]acetamide IUPAC Name: 2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide Traditional Name: 2-[(3R)-3-methylolpiperidin-1-ium-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCCC(C3)CO

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@H](C3)CO

InChI

InChI=1S/C21H26N2O3/c1-16-4-2-6-20(12-16)26-19-9-7-18(8-10-19)22-21(25)14-23-11-3-5-17(13-23)15-24/h2,4,6-10,12,17,24H,3,5,11,13-15H2,1H3,(H,22,25)/p+1/t17-/m1/s1