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

Systemtic Name: 9-methoxy-4-[[5-(methoxymethyl)furan-2-yl]methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[[5-(methoxymethyl)-2-furyl]methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[[5-(methoxymethyl)-2-furanyl]methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[[5-(methoxymethyl)furan-2-yl]methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[[5-(methoxymethyl)-2-furyl]methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

InChI

InChI=1S/C22H24N2O4/c1-25-15-20-6-5-19(28-20)14-24-8-9-27-22-18(13-24)10-17(11-21(22)26-2)16-4-3-7-23-12-16/h3-7,10-12H,8-9,13-15H2,1-2H3/p+1