(2S,3S)-3-(4-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S,3S)-3-(4-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2S,3S)-3-(4-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2S,3S)-3-(4-methoxyphenyl)-1,2-diphenyl-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S,3S)-3-(4-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2S,3S)-3-(4-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-one Formula: C27H30NO2+ MolecularWeight: 400.5326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)C(=O)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C27H29NO2/c1-30-24-17-15-22(16-18-24)26(28-19-9-4-10-20-28)25(21-11-5-2-6-12-21)27(29)23-13-7-3-8-14-23/h2-3,5-8,11-18,25-26H,4,9-10,19-20H2,1H3/p+1/t25-,26+/m0/s1