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

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one Openeye Name: 3-(azepan-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one CAS Name: 3-(1-azepan-1-iumyl)-1-(4-propoxyphenyl)-1-propanone IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one Traditional Name: 3-(azepan-1-ium-1-yl)-1-(4-propoxyphenyl)propan-1-one Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCCC2

InChI

InChI=1S/C18H27NO2/c1-2-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-3-4-6-13-19/h7-10H,2-6,11-15H2,1H3/p+1