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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]ammonium IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH2+]C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH2+]C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O3/c1-17(23-18-8-9-20-21(16-18)28-15-5-14-27-20)22(26)25-12-10-24(11-13-25)19-6-3-2-4-7-19/h2-4,6-9,16-17,23H,5,10-15H2,1H3/p+1/t17-/m0/s1