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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]azanium Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]ammonium CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]ammonium IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH2+]C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)[NH2+]C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H22N2O3/c1-12(16(19)18-7-2-3-8-18)17-13-5-6-14-15(11-13)21-10-4-9-20-14/h5-6,11-12,17H,2-4,7-10H2,1H3/p+1/t12-/m0/s1