[4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxy-4-methyl-pent-2-ynyl]-ethyl-azanium

Systemtic Name: [4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxy-4-methyl-pent-2-ynyl]-ethyl-azanium Openeye Name: [4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxy-4-methyl-pent-2-ynyl]-ethyl-ammonium CAS Name: [4-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)-4-methylpent-2-ynyl]-ethylammonium IUPAC Name: [4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-4-methylpent-2-ynyl]-ethylazanium Traditional Name: [4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxy-4-methyl-pent-2-ynyl]-ethyl-ammonium Formula: C22H32NO3+ MolecularWeight: 358.49438

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CC[NH2+]CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO3/c1-4-23-17-11-16-21(2,3)26-20(24)22(25,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5,7-8,12-13,19,23,25H,4,6,9-10,14-15,17H2,1-3H3/p+1