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

Systemtic Name: 4-bromanyl-2-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C17H21BrN3O+ MolecularWeight: 363.27214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H20BrN3O/c18-16-1-2-17(22)15(11-16)13-21-9-7-20(8-10-21)12-14-3-5-19-6-4-14/h1-6,11,22H,7-10,12-13H2/p+1