(4-bromanylthiophen-2-yl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: (4-bromanylthiophen-2-yl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: (4-bromo-2-thienyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: (4-bromo-2-thiophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: (4-bromothiophen-2-yl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: (4-bromo-2-thienyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C13H21BrNS+ MolecularWeight: 303.28154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC(=CS2)Br

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CC(=CS2)Br

InChI

InChI=1S/C13H20BrNS/c1-9-4-3-5-13(10(9)2)15-7-12-6-11(14)8-16-12/h6,8-10,13,15H,3-5,7H2,1-2H3/p+1/t9-,10+,13-/m0/s1