2-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenol Formula: C17H20ClN2O+ MolecularWeight: 303.8065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=CC=C3O

InChI

InChI=1S/C17H19ClN2O/c18-15-6-2-1-5-14(15)13-19-9-11-20(12-10-19)16-7-3-4-8-17(16)21/h1-8,21H,9-13H2/p+1