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

Systemtic Name: [(2R)-2-[4-(2,3-dimethylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-[4-(2,3-dimethylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-[4-(2,3-dimethylphenoxy)phenyl]-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-[4-(2,3-dimethylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-[4-(2,3-dimethylphenoxy)phenyl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C20H28N2O+2 MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=CC=C(C=C2)C(C[NH3+])[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=CC=C(C=C2)[C@H](C[NH3+])[NH+]3CCCC3)C

InChI

InChI=1S/C20H26N2O/c1-15-6-5-7-20(16(15)2)23-18-10-8-17(9-11-18)19(14-21)22-12-3-4-13-22/h5-11,19H,3-4,12-14,21H2,1-2H3/p+2/t19-/m0/s1