(2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one

Systemtic Name: (2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one Openeye Name: (2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one CAS Name: (2S)-3-(1-azepan-1-iumyl)-1-(4-methoxyphenyl)-2-phenyl-1-propanone IUPAC Name: (2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenylpropan-1-one Traditional Name: (2S)-3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[C@H](C[NH+]2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-25-20-13-11-19(12-14-20)22(24)21(18-9-5-4-6-10-18)17-23-15-7-2-3-8-16-23/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3/p+1/t21-/m1/s1