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

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-pentan-3-yl-azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(1-ethylpropyl)ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-pentan-3-ylammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-pentan-3-ylazanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-(1-ethylpropyl)ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1=C(C=C2CC(OC2=C1)C)OCC

Isomeric SMILES

CCC(CC)[NH2+]CC1=C(C=C2C[C@@H](OC2=C1)C)OCC

InChI

InChI=1S/C17H27NO2/c1-5-15(6-2)18-11-14-10-17-13(8-12(4)20-17)9-16(14)19-7-3/h9-10,12,15,18H,5-8,11H2,1-4H3/p+1/t12-/m0/s1