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

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C17H20ClN2O+ MolecularWeight: 303.8065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O/c18-15-4-2-5-16(12-15)20-9-7-19(8-10-20)13-14-3-1-6-17(21)11-14/h1-6,11-12,21H,7-10,13H2/p+1