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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]butanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]butanamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]butyramide Formula: C16H27N2OS+ MolecularWeight: 295.46338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2OS/c1-2-8-16(19)17-13-14(15-9-7-12-20-15)18-10-5-3-4-6-11-18/h7,9,12,14H,2-6,8,10-11,13H2,1H3,(H,17,19)/p+1/t14-/m0/s1