(1R)-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanol

Systemtic Name: (1R)-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanol Openeye Name: (1R)-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanol CAS Name: (1R)-1-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: (1R)-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanol Traditional Name: (1R)-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanol Formula: C17H23N3O+2 MolecularWeight: 285.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](C2=CC=CC=C2)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21N3O/c21-16(15-6-2-1-3-7-15)14-19-10-12-20(13-11-19)17-8-4-5-9-18-17/h1-9,16,21H,10-14H2/p+2/t16-/m0/s1