1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone CAS Name: 1-[7-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C26H29N3O3S/c30-26(16-24-4-2-14-33-24)29-12-13-31-25-6-5-20(15-21(25)19-29)18-28-10-7-22(8-11-28)32-23-3-1-9-27-17-23/h1-6,9,14-15,17,22H,7-8,10-13,16,18-19H2/p+1