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

Systemtic Name: [(2S)-2-(azepan-1-yl)-2-(4-bromanylthiophen-2-yl)ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-yl)-2-(4-bromo-2-thienyl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepanyl)-2-(4-bromo-2-thiophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-yl)-2-(4-bromothiophen-2-yl)ethyl]azanium Traditional Name: [(2S)-2-(azepan-1-yl)-2-(4-bromo-2-thienyl)ethyl]ammonium Formula: C12H20BrN2S+ MolecularWeight: 304.2696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C[NH3+])C2=CC(=CS2)Br

Isomeric SMILES

C1CCCN(CC1)[C@@H](C[NH3+])C2=CC(=CS2)Br

InChI

InChI=1S/C12H19BrN2S/c13-10-7-12(16-9-10)11(8-14)15-5-3-1-2-4-6-15/h7,9,11H,1-6,8,14H2/p+1/t11-/m0/s1