[(2R)-2-(3-bromanyl-4-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(3-bromanyl-4-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(3-bromo-4-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(3-bromo-4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(3-bromo-4-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C13H21BrN2O+2 MolecularWeight: 301.22264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH3+])[NH+]2CCCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C[NH3+])[NH+]2CCCC2)Br

InChI

InChI=1S/C13H19BrN2O/c1-17-13-5-4-10(8-11(13)14)12(9-15)16-6-2-3-7-16/h4-5,8,12H,2-3,6-7,9,15H2,1H3/p+2/t12-/m0/s1