[(2S)-2-(4-bromanylthiophen-2-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethyl]azanium

Systemtic Name: [(2S)-2-(4-bromanylthiophen-2-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethyl]azanium Openeye Name: [(2S)-2-(4-bromo-2-thienyl)-2-[(3S)-3-methyl-1-piperidyl]ethyl]ammonium CAS Name: [(2S)-2-(4-bromo-2-thiophenyl)-2-[(3S)-3-methyl-1-piperidinyl]ethyl]ammonium IUPAC Name: [(2S)-2-(4-bromothiophen-2-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethyl]azanium Traditional Name: [(2S)-2-(4-bromo-2-thienyl)-2-[(3S)-3-methylpiperidino]ethyl]ammonium Formula: C12H20BrN2S+ MolecularWeight: 304.2696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(C[NH3+])C2=CC(=CS2)Br

Isomeric SMILES

C[C@H]1CCCN(C1)[C@@H](C[NH3+])C2=CC(=CS2)Br

InChI

InChI=1S/C12H19BrN2S/c1-9-3-2-4-15(7-9)11(6-14)12-5-10(13)8-16-12/h5,8-9,11H,2-4,6-7,14H2,1H3/p+1/t9-,11-/m0/s1