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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C15H25N2OS+ MolecularWeight: 281.4368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC(C1=CC=CS1)[NH+]2CCCCCC2

Isomeric SMILES

CCC(=O)NC[C@@H](C1=CC=CS1)[NH+]2CCCCCC2

InChI

InChI=1S/C15H24N2OS/c1-2-15(18)16-12-13(14-8-7-11-19-14)17-9-5-3-4-6-10-17/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,16,18)/p+1/t13-/m0/s1