4-[(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)amino]but-2-ynyl-[2-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: 4-[(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)amino]but-2-ynyl-[2-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: 4-[(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)amino]but-2-ynyl-[2-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: 4-[(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethyl)amino]but-2-ynyl-[2-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: 4-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]but-2-ynyl-[2-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: 4-[(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)amino]but-2-ynyl-[2-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C29H39N2O3+ MolecularWeight: 463.63156

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=C(C=C1)OC)CC#CCNC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

C[N+](C)(CCC1=CC=C(C=C1)OC)CC#CCNC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C29H38N2O3/c1-31(2,23-20-24-16-18-27(34-3)19-17-24)22-11-10-21-30-28(32)29(33,25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4,6-7,12-13,16-19,26,33H,5,8-9,14-15,20-23H2,1-3H3/p+1