2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]phenol Formula: C17H20ClN2O+ MolecularWeight: 303.8065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C3=CC=CC=C3O

InChI

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