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

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[(1R)-1-methylolpropyl]ammonium Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-4-14(10-18)17-9-13-8-16-12(6-11(3)20-16)7-15(13)19-5-2/h7-8,11,14,17-18H,4-6,9-10H2,1-3H3/p+1/t11-,14+/m0/s1