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

Systemtic Name: 5-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C20H23BrN3O3S+ MolecularWeight: 465.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H22BrN3O3S/c21-18-6-5-15(28-18)13-22-8-10-23(11-9-22)20(26)14-24-16-3-1-2-4-17(16)27-12-7-19(24)25/h1-6H,7-14H2/p+1