1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidin-1-ium-4-amine

Systemtic Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidin-1-ium-4-amine Openeye Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]piperidin-1-ium-4-amine CAS Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidin-1-ium-4-amine Traditional Name: [1-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]piperidin-1-ium-4-yl]amine Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH+]3CCC(CC3)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH+]3CCC(CC3)N

InChI

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