7-(1H-inden-2-yl)-4-[(6-methylpyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(1H-inden-2-yl)-4-[(6-methylpyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(1H-inden-2-yl)-4-[(6-methyl-2-pyridyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1H-inden-2-yl)-4-[(6-methyl-2-pyridinyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1H-inden-2-yl)-4-[(6-methylpyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(1H-inden-2-yl)-4-[(6-methyl-2-pyridyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H25N2O+ MolecularWeight: 369.4788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

InChI

InChI=1S/C25H24N2O/c1-18-5-4-8-24(26-18)17-27-11-12-28-25-10-9-21(15-23(25)16-27)22-13-19-6-2-3-7-20(19)14-22/h2-10,13,15H,11-12,14,16-17H2,1H3/p+1