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

Systemtic Name: 5-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H22N4O3/c25-19-7-14-27-18-4-2-1-3-17(18)24(19)15-20(26)23-12-10-22(11-13-23)16-5-8-21-9-6-16/h1-6,8-9H,7,10-15H2/p+1