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

Systemtic Name: 7-(1H-inden-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(1H-inden-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1H-inden-2-yl)-4-[(1-methyl-4-pyrazolyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1H-inden-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(1H-inden-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H24N3O+ MolecularWeight: 358.45616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

InChI

InChI=1S/C23H23N3O/c1-25-14-17(13-24-25)15-26-8-9-27-23-7-6-20(12-22(23)16-26)21-10-18-4-2-3-5-19(18)11-21/h2-7,10,12-14H,8-9,11,15-16H2,1H3/p+1