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

Systemtic Name: (2S)-2-methyl-4-(thian-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-methyl-4-tetrahydrothiopyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-methyl-4-(4-thianyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-methyl-4-(thian-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-methyl-4-tetrahydrothiopyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C15H22NOS+ MolecularWeight: 264.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)C3CCSCC3

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)C3CCSCC3

InChI

InChI=1S/C15H21NOS/c1-12-10-16(14-6-8-18-9-7-14)11-13-4-2-3-5-15(13)17-12/h2-5,12,14H,6-11H2,1H3/p+1/t12-/m0/s1