[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: [(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1S)-1-methylbutyl]ammonium CAS Name: [(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(2R)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[(1S)-1-methylbutyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=C(C=C2CC(OC2=C1)C)OCC

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=C(C=C2C[C@H](OC2=C1)C)OCC

InChI

InChI=1S/C17H27NO2/c1-5-7-12(3)18-11-15-10-17-14(8-13(4)20-17)9-16(15)19-6-2/h9-10,12-13,18H,5-8,11H2,1-4H3/p+1/t12-,13+/m0/s1