furan-2-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: furan-2-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: 2-furyl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 2-furanyl-[7-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: furan-2-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: 2-furyl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O3/c29-25(24-7-4-15-30-24)28-14-16-31-23-9-8-20(17-21(23)19-28)18-26-10-12-27(13-11-26)22-5-2-1-3-6-22/h1-9,15,17H,10-14,16,18-19H2/p+1