cyclohexyl-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[2-(2-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[(5-methyl-2-o-phenetyl-oxazol-4-yl)methyl]-propargyl-ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+](CC#C)C3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+](CC#C)C3CCCCC3

InChI

InChI=1S/C22H28N2O2/c1-4-15-24(18-11-7-6-8-12-18)16-20-17(3)26-22(23-20)19-13-9-10-14-21(19)25-5-2/h1,9-10,13-14,18H,5-8,11-12,15-16H2,2-3H3/p+1