[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: [(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]azanium Traditional Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]ammonium Formula: C12H22N2S+2 MolecularWeight: 226.38148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC=CS2

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC=CS2

InChI

InChI=1S/C12H20N2S/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2/p+2/t11-/m0/s1