3-cyclohexyloxypropyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 3-cyclohexyloxypropyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: 3-(cyclohexoxy)propyl-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium CAS Name: 3-cyclohexyloxypropyl-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonium IUPAC Name: 3-cyclohexyloxypropyl-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azanium Traditional Name: 3-(cyclohexoxy)propyl-[(3S)-6-hydroxycoumaran-3-yl]ammonium Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCCC[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

C1CCC(CC1)OCCC[NH2+][C@@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C17H25NO3/c19-13-7-8-15-16(12-21-17(15)11-13)18-9-4-10-20-14-5-2-1-3-6-14/h7-8,11,14,16,18-19H,1-6,9-10,12H2/p+1/t16-/m1/s1