2-(azepan-1-ium-1-ylmethyl)-1-phenyl-butan-1-one chloride

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1-phenyl-butan-1-one chloride Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1-phenyl-butan-1-one chloride CAS Name: 2-(1-azepan-1-iumylmethyl)-1-phenyl-1-butanone chloride IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1-phenylbutan-1-one chloride Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1-phenyl-butan-1-one chloride Formula: C17H26ClNO MolecularWeight: 295.84744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH+]1CCCCCC1)C(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC(C[NH+]1CCCCCC1)C(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H25NO.ClH/c1-2-15(14-18-12-8-3-4-9-13-18)17(19)16-10-6-5-7-11-16;/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3;1H