[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]ammonium Formula: C16H26BrN2O+ MolecularWeight: 342.29444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2CCCN2CC

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]C[C@H]2CCCN2CC

InChI

InChI=1S/C16H25BrN2O/c1-3-15(14-10-12(17)7-8-16(14)20)18-11-13-6-5-9-19(13)4-2/h7-8,10,13,15,18,20H,3-6,9,11H2,1-2H3/p+1/t13-,15+/m1/s1