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

Systemtic Name: (4-acetamidophenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azanium Openeye Name: (4-acetamidophenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]azanium Traditional Name: (4-acetamidobenzyl)-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH2+]CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+]CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H26N2O3/c1-4-25-20-10-17-9-14(2)26-21(17)11-18(20)13-22-12-16-5-7-19(8-6-16)23-15(3)24/h5-8,10-11,14,22H,4,9,12-13H2,1-3H3,(H,23,24)/p+1/t14-/m0/s1