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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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