[(3S)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-oxidanyl-butyl]azanium

Systemtic Name: [(3S)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-oxidanyl-butyl]azanium Openeye Name: [(3S)-3-hydroxy-4-indan-5-yloxy-butyl]ammonium CAS Name: [(3S)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-hydroxybutyl]ammonium IUPAC Name: [(3S)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-hydroxybutyl]azanium Traditional Name: [(3S)-3-hydroxy-4-indan-5-yloxy-butyl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(CC[NH3+])O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OC[C@H](CC[NH3+])O

InChI

InChI=1S/C13H19NO2/c14-7-6-12(15)9-16-13-5-4-10-2-1-3-11(10)8-13/h4-5,8,12,15H,1-3,6-7,9,14H2/p+1/t12-/m0/s1