[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H29BrN2O+2 MolecularWeight: 357.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C17H27BrN2O/c1-2-16(15-13-14(18)7-8-17(15)21)19-9-6-12-20-10-4-3-5-11-20/h7-8,13,16,19,21H,2-6,9-12H2,1H3/p+2/t16-/m0/s1