(1S)-1-(3-aminophenyl)-2-piperidin-1-ium-1-yl-ethanol

Systemtic Name: (1S)-1-(3-aminophenyl)-2-piperidin-1-ium-1-yl-ethanol Openeye Name: (1S)-1-(3-aminophenyl)-2-piperidin-1-ium-1-yl-ethanol CAS Name: (1S)-1-(3-aminophenyl)-2-(1-piperidin-1-iumyl)ethanol IUPAC Name: (1S)-1-(3-aminophenyl)-2-piperidin-1-ium-1-ylethanol Traditional Name: (1S)-1-(3-aminophenyl)-2-piperidin-1-ium-1-yl-ethanol Formula: C13H21N2O+ MolecularWeight: 221.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c14-12-6-4-5-11(9-12)13(16)10-15-7-2-1-3-8-15/h4-6,9,13,16H,1-3,7-8,10,14H2/p+1/t13-/m1/s1