(5-methoxyfuran-2-yl)-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (5-methoxyfuran-2-yl)-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (5-methoxy-2-furyl)-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: (5-methoxy-2-furanyl)-[7-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (5-methoxyfuran-2-yl)-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (5-methoxy-2-furyl)-[7-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(O1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=C(O1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H28N4O4/c1-31-24-8-7-22(33-24)25(30)29-14-15-32-21-6-5-19(16-20(21)18-29)17-27-10-12-28(13-11-27)23-4-2-3-9-26-23/h2-9,16H,10-15,17-18H2,1H3/p+1