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

Systemtic Name: [(1R)-2-azaniumyl-1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethyl]-methyl-propan-2-yl-azanium Openeye Name: [(1R)-2-azaniumyl-1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]ethyl]-isopropyl-methyl-ammonium CAS Name: [(1R)-2-ammonio-1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]ethyl]-methyl-propan-2-ylammonium IUPAC Name: [(1R)-2-azaniumyl-1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethyl]-methyl-propan-2-ylazanium Traditional Name: [(1R)-2-ammonio-1-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]ethyl]-isopropyl-methyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C(C[NH3+])[NH+](C)C(C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)[C@H](C[NH3+])[NH+](C)C(C)C

InChI

InChI=1S/C17H28N2O2/c1-6-20-17-8-13-7-12(4)21-16(13)9-14(17)15(10-18)19(5)11(2)3/h8-9,11-12,15H,6-7,10,18H2,1-5H3/p+2/t12-,15-/m0/s1