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

Systemtic Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(2-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=C2Cl)C3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

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