(2S)-2-methyl-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-methyl-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-benzyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-benzyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-benzyl-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C17H20NO+ MolecularWeight: 254.3468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO/c1-14-11-18(12-15-7-3-2-4-8-15)13-16-9-5-6-10-17(16)19-14/h2-10,14H,11-13H2,1H3/p+1/t14-/m0/s1