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

Systemtic Name: (2S)-2-methyl-4-[(2S)-2-phenylpropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-methyl-4-[(2S)-2-phenylpropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-[(2S)-2-phenylpropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-methyl-4-[(2S)-2-phenylpropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-methyl-4-[(2S)-2-phenylpropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H24NO+ MolecularWeight: 282.39996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO/c1-15(17-8-4-3-5-9-17)12-20-13-16(2)21-19-11-7-6-10-18(19)14-20/h3-11,15-16H,12-14H2,1-2H3/p+1/t15-,16+/m1/s1