7-(1H-inden-2-yl)-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(1H-inden-2-yl)-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(1H-inden-2-yl)-4-tetrahydropyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1H-inden-2-yl)-4-(4-oxanyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1H-inden-2-yl)-4-(oxan-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(1H-inden-2-yl)-4-tetrahydropyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H26NO2+ MolecularWeight: 348.45804

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

Isomeric SMILES

C1COCCC1[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

InChI

InChI=1S/C23H25NO2/c1-2-4-18-14-20(13-17(18)3-1)19-5-6-23-21(15-19)16-24(9-12-26-23)22-7-10-25-11-8-22/h1-6,13,15,22H,7-12,14,16H2/p+1