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

Systemtic Name: (2S)-2-methyl-4-[(E)-3-phenylprop-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-[(E)-cinnamyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-[(E)-3-phenylprop-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-methyl-4-[(E)-3-phenylprop-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-[(E)-cinnamyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H22NO+ MolecularWeight: 280.38408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO/c1-16-14-20(13-7-10-17-8-3-2-4-9-17)15-18-11-5-6-12-19(18)21-16/h2-12,16H,13-15H2,1H3/p+1/b10-7+/t16-/m0/s1