3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylammonio]propyl-dimethyl-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[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C17H28N2O2/c1-5-20-16-10-14-9-13(2)21-17(14)11-15(16)12-18-7-6-8-19(3)4/h10-11,13,18H,5-9,12H2,1-4H3/p+2/t13-/m0/s1