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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylphenyl)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(o-tolyl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methylphenyl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(o-tolyl)ethyl]ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C2=CC3=C(C=C2)OCCCO3)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C[C@@H](C2=CC3=C(C=C2)OCCCO3)[NH3+]

InChI

InChI=1S/C18H21NO2/c1-13-5-2-3-6-14(13)11-16(19)15-7-8-17-18(12-15)21-10-4-9-20-17/h2-3,5-8,12,16H,4,9-11,19H2,1H3/p+1/t16-/m0/s1