[(2S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(2,2-dimethylcoumaran-7-yl)oxy-2-hydroxy-propyl]-methyl-ammonium Formula: C14H22NO3+ MolecularWeight: 252.32938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(C[NH2+]C)O)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC[C@H](C[NH2+]C)O)C

InChI

InChI=1S/C14H21NO3/c1-14(2)7-10-5-4-6-12(13(10)18-14)17-9-11(16)8-15-3/h4-6,11,15-16H,7-9H2,1-3H3/p+1/t11-/m0/s1