5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C16H22N3O3+ MolecularWeight: 304.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C16H21N3O3/c1-17-7-9-18(10-8-17)16(21)12-19-13-4-2-3-5-14(13)22-11-6-15(19)20/h2-5H,6-12H2,1H3/p+1