N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-methyl-butanamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-methyl-butanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-methyl-butanamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-3-methylbutanamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-methylbutanamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-methyl-butyramide Formula: C17H29N2OS+ MolecularWeight: 309.48996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2OS/c1-14(2)12-17(20)18-13-15(16-8-7-11-21-16)19-9-5-3-4-6-10-19/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H,18,20)/p+1/t15-/m0/s1