[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-butyl]azanium

Systemtic Name: [(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-butyl]azanium Openeye Name: [(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-butyl]ammonium CAS Name: [(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylbutyl]ammonium IUPAC Name: [(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylbutyl]azanium Traditional Name: [(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-butyl]ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C2=CC3=C(C=C2)OCCO3)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)[C@@H](C2=CC3=C(C=C2)OCCO3)[NH3+]

InChI

InChI=1S/C18H21NO2/c1-2-15(13-6-4-3-5-7-13)18(19)14-8-9-16-17(12-14)21-11-10-20-16/h3-9,12,15,18H,2,10-11,19H2,1H3/p+1/t15-,18+/m0/s1