5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)O

InChI

InChI=1S/C18H21ClN2O2/c1-23-18-7-6-14(12-17(18)22)13-20-8-10-21(11-9-20)16-5-3-2-4-15(16)19/h2-7,12,22H,8-11,13H2,1H3/p+1