(5-bromanylthiophen-2-yl)methyl-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C15H21BrN2OS+2 MolecularWeight: 357.30904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C[NH2+]CC2=CC=C(S2)Br)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C[NH2+]CC2=CC=C(S2)Br)C3=CC=CO3

InChI

InChI=1S/C15H19BrN2OS/c16-15-6-5-12(20-15)10-17-11-13(14-4-3-9-19-14)18-7-1-2-8-18/h3-6,9,13,17H,1-2,7-8,10-11H2/p+2/t13-/m0/s1