4-(azepan-1-ium-1-yl)butan-2-one chloride

Systemtic Name: 4-(azepan-1-ium-1-yl)butan-2-one chloride Openeye Name: 4-(azepan-1-ium-1-yl)butan-2-one chloride CAS Name: 4-(1-azepan-1-iumyl)-2-butanone chloride IUPAC Name: 4-(azepan-1-ium-1-yl)butan-2-one chloride Traditional Name: 4-(azepan-1-ium-1-yl)butan-2-one chloride Formula: C10H20ClNO MolecularWeight: 205.7249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[NH+]1CCCCCC1.[Cl-]

Isomeric SMILES

CC(=O)CC[NH+]1CCCCCC1.[Cl-]

InChI

InChI=1S/C10H19NO.ClH/c1-10(12)6-9-11-7-4-2-3-5-8-11;/h2-9H2,1H3;1H