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

Systemtic Name: (2S)-2-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-[(2-allyloxyphenyl)methyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-methyl-4-[(2-prop-2-enoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-(2-allyloxybenzyl)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CC3=CC=CC=C3OCC=C

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C20H23NO2/c1-3-12-22-19-10-6-4-8-17(19)14-21-13-16(2)23-20-11-7-5-9-18(20)15-21/h3-11,16H,1,12-15H2,2H3/p+1/t16-/m0/s1