2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[4-(3-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(=CC=C3)Cl)O

Isomeric SMILES

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

InChI

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