[(3S)-3-(azepan-1-ium-1-yl)-3-thiophen-2-yl-propyl]azanium

Systemtic Name: [(3S)-3-(azepan-1-ium-1-yl)-3-thiophen-2-yl-propyl]azanium Openeye Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(2-thienyl)propyl]ammonium CAS Name: [(3S)-3-(1-azepan-1-iumyl)-3-thiophen-2-ylpropyl]ammonium IUPAC Name: [(3S)-3-(azepan-1-ium-1-yl)-3-thiophen-2-ylpropyl]azanium Traditional Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(2-thienyl)propyl]ammonium Formula: C13H24N2S+2 MolecularWeight: 240.40806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2S/c14-8-7-12(13-6-5-11-16-13)15-9-3-1-2-4-10-15/h5-6,11-12H,1-4,7-10,14H2/p+2/t12-/m0/s1