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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(3-pyridylmethyl)ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(3-pyridylmethyl)ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CC3=CN=CC=C3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C17H20N2O2/c1-13(19-12-14-4-2-7-18-11-14)15-5-6-16-17(10-15)21-9-3-8-20-16/h2,4-7,10-11,13,19H,3,8-9,12H2,1H3/p+1/t13-/m0/s1