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

Systemtic Name: 4-bromanyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenol CAS Name: 4-bromo-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenol IUPAC Name: 4-bromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenol Formula: C16H19BrN3O+ MolecularWeight: 349.24556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Br)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Br)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H18BrN3O/c17-14-4-5-15(21)13(11-14)12-19-7-9-20(10-8-19)16-3-1-2-6-18-16/h1-6,11,21H,7-10,12H2/p+1