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

Systemtic Name: 5-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H23N3O3S/c24-19-7-12-26-18-6-2-1-5-17(18)23(19)15-20(25)22-10-8-21(9-11-22)14-16-4-3-13-27-16/h1-6,13H,7-12,14-15H2/p+1