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

Systemtic Name: 7-(cyclohexen-1-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(cyclohexen-1-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1-cyclohexenyl)-4-[(1-methyl-4-pyrazolyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(cyclohexen-1-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(cyclohexen-1-yl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CCCCC4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CCCCC4

InChI

InChI=1S/C20H25N3O/c1-22-13-16(12-21-22)14-23-9-10-24-20-8-7-18(11-19(20)15-23)17-5-3-2-4-6-17/h5,7-8,11-13H,2-4,6,9-10,14-15H2,1H3/p+1