[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]azanium

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH2+]C(C)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+][C@H](C)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C23H27N3O2/c1-4-27-22-12-19-11-16(2)28-23(19)13-20(22)14-25-17(3)18-5-7-21(8-6-18)26-10-9-24-15-26/h5-10,12-13,15-17,25H,4,11,14H2,1-3H3/p+1/t16-,17+/m0/s1