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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2OS/c1-2-3-10-17(20)18-14-15(16-9-8-13-21-16)19-11-6-4-5-7-12-19/h8-9,13,15H,2-7,10-12,14H2,1H3,(H,18,20)/p+1/t15-/m0/s1