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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCCCO3)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=CC3=C(C=C2)OCCCO3)[NH3+]

InChI

InChI=1S/C18H21NO2/c1-2-13-4-6-14(7-5-13)18(19)15-8-9-16-17(12-15)21-11-3-10-20-16/h4-9,12,18H,2-3,10-11,19H2,1H3/p+1/t18-/m0/s1