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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)[NH2+]CC(=O)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CC(=O)N

InChI

InChI=1S/C13H18N2O3/c1-9(15-8-13(14)16)10-3-4-11-12(7-10)18-6-2-5-17-11/h3-4,7,9,15H,2,5-6,8H2,1H3,(H2,14,16)/p+1/t9-/m0/s1