4-bromanyl-2-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol Openeye Name: 4-bromo-2-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]phenol CAS Name: 4-bromo-2-[(S)-4-morpholin-4-iumyl(pyridin-4-yl)methyl]phenol IUPAC Name: 4-bromo-2-[(S)-morpholin-4-ium-4-yl(pyridin-4-yl)methyl]phenol Traditional Name: 4-bromo-2-[(S)-morpholin-4-ium-4-yl(4-pyridyl)methyl]phenol Formula: C16H18BrN2O2+ MolecularWeight: 350.23032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CC=NC=C2)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1COCC[NH+]1[C@@H](C2=CC=NC=C2)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C16H17BrN2O2/c17-13-1-2-15(20)14(11-13)16(12-3-5-18-6-4-12)19-7-9-21-10-8-19/h1-6,11,16,20H,7-10H2/p+1/t16-/m0/s1