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

Systemtic Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methyl]azanium Openeye Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methyl]ammonium CAS Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methyl]azanium Traditional Name: [(S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methyl]ammonium Formula: C17H20NO3+ MolecularWeight: 286.3456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCCCO3)[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C2=CC3=C(C=C2)OCCCO3)[NH3+]

InChI

InChI=1S/C17H19NO3/c1-19-14-6-3-12(4-7-14)17(18)13-5-8-15-16(11-13)21-10-2-9-20-15/h3-8,11,17H,2,9-10,18H2,1H3/p+1/t17-/m0/s1