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

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-2-phenyl-3-piperidin-1-ium-1-yl-1-p-phenetyl-propan-1-one Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-2-25-20-13-11-19(12-14-20)22(24)21(18-9-5-3-6-10-18)17-23-15-7-4-8-16-23/h3,5-6,9-14,21H,2,4,7-8,15-17H2,1H3/p+1/t21-/m1/s1