[(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-butyl]azanium

Systemtic Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-butyl]azanium Openeye Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-butyl]ammonium CAS Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbutyl]ammonium IUPAC Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbutyl]azanium Traditional Name: [(1S,2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-butyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC2=C(C=C1)OCCCO2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH3+]

InChI

InChI=1S/C14H21NO2/c1-3-10(2)14(15)11-5-6-12-13(9-11)17-8-4-7-16-12/h5-6,9-10,14H,3-4,7-8,15H2,1-2H3/p+1/t10-,14-/m0/s1