(2S)-8-methoxy-2-methyl-4-[(2-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-8-methoxy-2-methyl-4-[(2-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-8-methoxy-2-methyl-4-(o-tolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-8-methoxy-2-methyl-4-[(2-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-8-methoxy-2-methyl-4-[(2-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-8-methoxy-2-methyl-4-(2-methylbenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H24NO2+ MolecularWeight: 298.39936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC3=CC=CC=C3C

InChI

InChI=1S/C19H23NO2/c1-14-6-4-5-7-16(14)12-20-11-15(2)22-19-10-18(21-3)9-8-17(19)13-20/h4-10,15H,11-13H2,1-3H3/p+1/t15-/m0/s1