1-benzofuran-2-yl-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: benzofuran-2-yl-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 2-benzofuranyl-[7-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: 1-benzofuran-2-yl-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: benzofuran-2-yl-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=CC=CC=C5O4)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=CC=CC=C5O4)CCO

InChI

InChI=1S/C25H29N3O4/c29-13-11-26-7-9-27(10-8-26)17-19-5-6-22-21(15-19)18-28(12-14-31-22)25(30)24-16-20-3-1-2-4-23(20)32-24/h1-6,15-16,29H,7-14,17-18H2/p+1