(2S)-2-(4-bromanylphenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C22H28BrN2O3+ MolecularWeight: 448.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=C(C=C1)OC)[NH+]2CCCC2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](C1=CC=C(C=C1)OC)[NH+]2CCCC2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN2O3/c1-16(28-20-11-7-18(23)8-12-20)22(26)24-15-21(25-13-3-4-14-25)17-5-9-19(27-2)10-6-17/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,24,26)/p+1/t16-,21-/m0/s1