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

Systemtic Name: (2S)-2-methyl-4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-methyl-4-(m-tolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-methyl-4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-methyl-4-(3-methylbenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H22NO+ MolecularWeight: 268.37338

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CC3=CC=CC(=C3)C

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CC3=CC=CC(=C3)C

InChI

InChI=1S/C18H21NO/c1-14-6-5-7-16(10-14)12-19-11-15(2)20-18-9-4-3-8-17(18)13-19/h3-10,15H,11-13H2,1-2H3/p+1/t15-/m0/s1