4-[(2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl]oxybut-2-ynyl-ethyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: 4-[(2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl]oxybut-2-ynyl-ethyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: 4-[(2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetyl]oxybut-2-ynyl-ethyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: 4-[(2S)-2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy]but-2-ynyl-ethyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: 4-[(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxybut-2-ynyl-ethyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: 4-[(2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetyl]oxybut-2-ynyl-ethyl-p-anisyl-ammonium Formula: C28H36NO4+ MolecularWeight: 450.58974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC#CCOC(=O)[C@](C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H35NO4/c1-3-29(22-23-16-18-26(32-2)19-17-23)20-10-11-21-33-27(30)28(31,24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4,6-7,12-13,16-19,25,31H,3,5,8-9,14-15,20-22H2,1-2H3/p+1/t28-/m1/s1