tert-butyl-[(4-chloranyl-2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)methyl]azanium

Systemtic Name: tert-butyl-[(4-chloranyl-2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)methyl]azanium Openeye Name: tert-butyl-[(4-chloro-2-ethoxycarbonyl-3-methyl-benzofuran-5-yl)methyl]ammonium CAS Name: tert-butyl-[(4-chloro-2-ethoxycarbonyl-3-methyl-5-benzofuranyl)methyl]ammonium IUPAC Name: tert-butyl-[(4-chloro-2-ethoxycarbonyl-3-methyl-1-benzofuran-5-yl)methyl]azanium Traditional Name: tert-butyl-[(2-carbethoxy-4-chloro-3-methyl-benzofuran-5-yl)methyl]ammonium Formula: C17H23ClNO3+ MolecularWeight: 324.82242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C[NH2+]C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C[NH2+]C(C)(C)C)C

InChI

InChI=1S/C17H22ClNO3/c1-6-21-16(20)15-10(2)13-12(22-15)8-7-11(14(13)18)9-19-17(3,4)5/h7-8,19H,6,9H2,1-5H3/p+1