3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)propan-1-one

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)propan-1-one Openeye Name: 3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)propan-1-one CAS Name: 3-(1-azepan-1-iumyl)-1-(4-ethoxyphenyl)-1-propanone IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)propan-1-one Traditional Name: 3-(azepan-1-ium-1-yl)-1-p-phenetyl-propan-1-one Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2

InChI

InChI=1S/C17H25NO2/c1-2-20-16-9-7-15(8-10-16)17(19)11-14-18-12-5-3-4-6-13-18/h7-10H,2-6,11-14H2,1H3/p+1