(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-3-25-15-20(17(2)23-25)14-24-13-19-11-7-8-12-21(19)26-22(16-24)18-9-5-4-6-10-18/h4-12,15,22H,3,13-14,16H2,1-2H3/p+1/t22-/m1/s1