4-bromanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C17H20BrN2O+ MolecularWeight: 348.2575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O/c18-15-6-7-17(21)14(12-15)13-19-8-10-20(11-9-19)16-4-2-1-3-5-16/h1-7,12,21H,8-11,13H2/p+1