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(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium

(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name:(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium
Openeye Name:(2-ethoxycarbonylbenzofuran-3-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium
CAS Name:(2-ethoxycarbonyl-3-benzofuranyl)methyl-[(1S)-2-methyl-1-phenylpropyl]ammonium
IUPAC Name:(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]azanium
Traditional Name:(2-carbethoxybenzofuran-3-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium
Formula: C22H26NO3+
MolecularWeight: 352.44674
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH2+]C(C3=CC=CC=C3)C(C)C


Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH2+][C@H](C3=CC=CC=C3)C(C)C


InChI

InChI=1S/C22H25NO3/c1-4-25-22(24)21-18(17-12-8-9-13-19(17)26-21)14-23-20(15(2)3)16-10-6-5-7-11-16/h5-13,15,20,23H,4,14H2,1-3H3/p+1/t20-/m0/s1


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