3-(azepan-1-ium-1-yl)-1-(4-methylphenyl)propan-1-one chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-methylphenyl)propan-1-one chloride Openeye Name: 3-(azepan-1-ium-1-yl)-1-(p-tolyl)propan-1-one chloride CAS Name: 3-(1-azepan-1-iumyl)-1-(4-methylphenyl)-1-propanone chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-methylphenyl)propan-1-one chloride Traditional Name: 3-(azepan-1-ium-1-yl)-1-(p-tolyl)propan-1-one chloride Formula: C16H24ClNO MolecularWeight: 281.82086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C16H23NO.ClH/c1-14-6-8-15(9-7-14)16(18)10-13-17-11-4-2-3-5-12-17;/h6-9H,2-5,10-13H2,1H3;1H