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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-pyridin-3-yl-phenol Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(3-pyridyl)phenol CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-(3-pyridinyl)phenol IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-pyridin-3-ylphenol Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(3-pyridyl)phenol Formula: C22H23ClN3O+ MolecularWeight: 380.89052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CN=CC=C3)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CN=CC=C3)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O/c23-20-4-1-5-21(14-20)26-11-9-25(10-12-26)16-19-13-17(6-7-22(19)27)18-3-2-8-24-15-18/h1-8,13-15,27H,9-12,16H2/p+1