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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H27BrN2O+2 MolecularWeight: 343.30238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C16H25BrN2O/c1-2-15(14-12-13(17)6-7-16(14)20)18-8-5-11-19-9-3-4-10-19/h6-7,12,15,18,20H,2-5,8-11H2,1H3/p+2/t15-/m0/s1