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

Systemtic Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methylphenyl)methyl]azanium Openeye Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl(p-tolyl)methyl]ammonium CAS Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methylphenyl)methyl]ammonium IUPAC Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methylphenyl)methyl]azanium Traditional Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl(p-tolyl)methyl]ammonium Formula: C17H20NO2+ MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCCCO3)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC3=C(C=C2)OCCCO3)[NH3+]

InChI

InChI=1S/C17H19NO2/c1-12-3-5-13(6-4-12)17(18)14-7-8-15-16(11-14)20-10-2-9-19-15/h3-8,11,17H,2,9-10,18H2,1H3/p+1/t17-/m0/s1