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

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propan-1-one Openeye Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propan-1-one CAS Name: 3-(1-azepan-1-iumyl)-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propan-1-one Traditional Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propan-1-one Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2

InChI

InChI=1S/C16H23NO2/c1-19-15-8-6-14(7-9-15)16(18)10-13-17-11-4-2-3-5-12-17/h6-9H,2-5,10-13H2,1H3/p+1