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

Systemtic Name: (2S)-1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-pentoxyphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(4-amoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one Formula: C25H34NO2+ MolecularWeight: 380.54296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)[C@H](C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H33NO2/c1-2-3-10-19-28-23-15-13-22(14-16-23)25(27)24(21-11-6-4-7-12-21)20-26-17-8-5-9-18-26/h4,6-7,11-16,24H,2-3,5,8-10,17-20H2,1H3/p+1/t24-/m1/s1