[(2S)-3-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-4-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-3-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-4-yl)oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-(2-ethoxycarbonyl-3-methyl-benzofuran-4-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-3-[(2-ethoxycarbonyl-3-methyl-4-benzofuranyl)oxy]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-4-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-(2-carbethoxy-3-methyl-benzofuran-4-yl)oxy-2-hydroxy-propyl]-isopropyl-ammonium Formula: C18H26NO5+ MolecularWeight: 336.40274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCC(C[NH2+]C(C)C)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC=C2OC[C@H](C[NH2+]C(C)C)O)C

InChI

InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3/p+1/t13-/m0/s1