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

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(furan-2-ylmethyl)azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-furylmethyl)ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-furanylmethyl)ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(furan-2-ylmethyl)azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-(2-furfuryl)ammonium Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CC3=CC=CO3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CC3=CC=CO3

InChI

InChI=1S/C16H19NO3/c1-12(17-11-14-4-2-7-18-14)13-5-6-15-16(10-13)20-9-3-8-19-15/h2,4-7,10,12,17H,3,8-9,11H2,1H3/p+1/t12-/m0/s1