(2S)-N-[(3-bromophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: (2S)-N-[(3-bromophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (2S)-N-[(3-bromophenyl)methyl]-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (2S)-N-[(3-bromophenyl)methyl]-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (2S)-N-[(3-bromophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (3-bromobenzyl)-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C17H22BrN2O+ MolecularWeight: 350.27338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNCC2=CC(=CC=C2)Br)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNCC2=CC(=CC=C2)Br)C3=CC=CO3

InChI

InChI=1S/C17H21BrN2O/c18-15-6-3-5-14(11-15)12-19-13-16(17-7-4-10-21-17)20-8-1-2-9-20/h3-7,10-11,16,19H,1-2,8-9,12-13H2/p+1/t16-/m0/s1