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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-pyridylmethyl)ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-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=CC=CC=N3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CC3=CC=CC=N3

InChI

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