[(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3R)-6-hydroxycoumaran-3-yl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[NH2+]C1COC2=C1C=CC(=C2)O)N(C)C

Isomeric SMILES

CC(C)C[C@@H](C[NH2+][C@H]1COC2=C1C=CC(=C2)O)N(C)C

InChI

InChI=1S/C16H26N2O2/c1-11(2)7-12(18(3)4)9-17-15-10-20-16-8-13(19)5-6-14(15)16/h5-6,8,11-12,15,17,19H,7,9-10H2,1-4H3/p+1/t12-,15-/m0/s1