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

Systemtic Name: 4-bromanyl-2-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Formula: C13H20BrN2O+ MolecularWeight: 300.2147

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H19BrN2O/c1-15-5-2-6-16(8-7-15)10-11-9-12(14)3-4-13(11)17/h3-4,9,17H,2,5-8,10H2,1H3/p+1