(1S,2S)-1-cyclohexyl-1-(4-ethylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-cyclohexyl-1-(4-ethylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-cyclohexyl-1-(4-ethylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-cyclohexyl-1-(4-ethylphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-cyclohexyl-1-(4-ethylphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-cyclohexyl-1-(4-ethylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C28H40NO+ MolecularWeight: 406.6233

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H39NO/c1-2-23-16-18-26(19-17-23)28(30,25-14-8-4-9-15-25)27(24-12-6-3-7-13-24)22-29-20-10-5-11-21-29/h3,6-7,12-13,16-19,25,27,30H,2,4-5,8-11,14-15,20-22H2,1H3/p+1/t27-,28-/m1/s1