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

Systemtic Name: (2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-2-phenyl-propan-1-one Openeye Name: (2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-2-phenyl-propan-1-one CAS Name: (2S)-3-(1-azepan-1-iumyl)-1-(4-ethoxyphenyl)-2-phenyl-1-propanone IUPAC Name: (2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-2-phenylpropan-1-one Traditional Name: (2S)-3-(azepan-1-ium-1-yl)-2-phenyl-1-p-phenetyl-propan-1-one Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C[NH+]2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-2-26-21-14-12-20(13-15-21)23(25)22(19-10-6-5-7-11-19)18-24-16-8-3-4-9-17-24/h5-7,10-15,22H,2-4,8-9,16-18H2,1H3/p+1/t22-/m1/s1