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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2/c1-12-8-13(2)10-15(9-12)18(19)14-4-5-16-17(11-14)21-7-3-6-20-16/h4-5,8-11,18H,3,6-7,19H2,1-2H3/p+1/t18-/m1/s1