[(2R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(3-bromo-4,5-dimethoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(3-bromo-4,5-dimethoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C14H23BrN2O2+2 MolecularWeight: 331.24862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2/c1-18-13-8-10(7-11(15)14(13)19-2)12(9-16)17-5-3-4-6-17/h7-8,12H,3-6,9,16H2,1-2H3/p+2/t12-/m0/s1