4-[[5-(methoxymethyl)furan-2-yl]methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[[5-(methoxymethyl)furan-2-yl]methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[[5-(methoxymethyl)-2-furyl]methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[[5-(methoxymethyl)-2-furanyl]methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[[5-(methoxymethyl)furan-2-yl]methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[[5-(methoxymethyl)-2-furyl]methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4

InChI

InChI=1S/C21H22N2O4/c1-25-14-18-6-5-17(27-18)13-23-8-9-26-21-16(12-23)10-15(11-20(21)24)19-4-2-3-7-22-19/h2-7,10-11,24H,8-9,12-14H2,1H3/p+1