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

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-hexylphenyl)propan-1-one chloride Openeye Name: 3-(azepan-1-ium-1-yl)-1-(4-hexylphenyl)propan-1-one chloride CAS Name: 3-(1-azepan-1-iumyl)-1-(4-hexylphenyl)-1-propanone chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-hexylphenyl)propan-1-one chloride Traditional Name: 3-(azepan-1-ium-1-yl)-1-(4-hexylphenyl)propan-1-one chloride Formula: C21H34ClNO MolecularWeight: 351.95376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C21H33NO.ClH/c1-2-3-4-7-10-19-11-13-20(14-12-19)21(23)15-18-22-16-8-5-6-9-17-22;/h11-14H,2-10,15-18H2,1H3;1H