2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-isopropyl-acetamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-isopropyl-acetamide Formula: C13H26N3O2+ MolecularWeight: 256.36444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C[NH+]1CCCCCC1

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C[NH+]1CCCCCC1

InChI

InChI=1S/C13H25N3O2/c1-11(2)15-12(17)9-14-13(18)10-16-7-5-3-4-6-8-16/h11H,3-10H2,1-2H3,(H,14,18)(H,15,17)/p+1