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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]ammonium CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-(4-morpholinyl)-1-oxopropan-2-yl]ammonium IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]azanium Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-2-keto-1-methyl-2-morpholino-ethyl]ammonium Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)[NH2+]C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)N1CCOCC1)[NH2+]C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H22N2O4/c1-12(16(19)18-5-9-20-10-6-18)17-13-3-4-14-15(11-13)22-8-2-7-21-14/h3-4,11-12,17H,2,5-10H2,1H3/p+1/t12-/m0/s1