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

Systemtic Name: 9-methoxy-4-[[5-(methoxymethyl)furan-2-yl]methyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[[5-(methoxymethyl)-2-furyl]methyl]-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[[5-(methoxymethyl)-2-furanyl]methyl]-7-(3-quinolinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[[5-(methoxymethyl)furan-2-yl]methyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[[5-(methoxymethyl)-2-furyl]methyl]-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H26N2O4/c1-29-17-23-8-7-22(32-23)16-28-9-10-31-26-21(15-28)12-19(13-25(26)30-2)20-11-18-5-3-4-6-24(18)27-14-20/h3-8,11-14H,9-10,15-17H2,1-2H3/p+1