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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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