(2S)-1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-thiophen-2-yl-pyrrolidin-1-ium

Systemtic Name: (2S)-1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-thiophen-2-yl-pyrrolidin-1-ium Openeye Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(2-thienyl)pyrrolidin-1-ium CAS Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-thiophen-2-ylpyrrolidin-1-ium IUPAC Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-thiophen-2-ylpyrrolidin-1-ium Traditional Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(2-thienyl)pyrrolidin-1-ium Formula: C17H19BrNO2S+ MolecularWeight: 381.30726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC3=C(C=C2Br)OCCO3)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC3=C(C=C2Br)OCCO3)C4=CC=CS4

InChI

InChI=1S/C17H18BrNO2S/c18-13-10-16-15(20-6-7-21-16)9-12(13)11-19-5-1-3-14(19)17-4-2-8-22-17/h2,4,8-10,14H,1,3,5-7,11H2/p+1/t14-/m0/s1