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

Systemtic Name: [(2R)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C(C[NH3+])[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)[C@H](C[NH3+])[NH+]3CCCC3

InChI

InChI=1S/C17H26N2O2/c1-3-20-17-9-13-8-12(2)21-16(13)10-14(17)15(11-18)19-6-4-5-7-19/h9-10,12,15H,3-8,11,18H2,1-2H3/p+2/t12-,15-/m0/s1