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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-pyrimidin-5-yl-phenol Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-pyrimidin-5-yl-phenol CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-(5-pyrimidinyl)phenol IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-pyrimidin-5-ylphenol Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-(5-pyrimidyl)phenol Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O/c22-19-2-1-3-20(11-19)26-8-6-25(7-9-26)14-17-10-16(4-5-21(17)27)18-12-23-15-24-13-18/h1-5,10-13,15,27H,6-9,14H2/p+1