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

Systemtic Name: 4-bromanyl-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C17H19BrClN2O+ MolecularWeight: 382.70256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrClN2O/c18-14-4-5-17(22)13(10-14)12-20-6-8-21(9-7-20)16-3-1-2-15(19)11-16/h1-5,10-11,22H,6-9,12H2/p+1