(2S)-7-chloranyl-2-methyl-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-7-chloranyl-2-methyl-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-7-chloro-2-methyl-4-(2-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-chloro-2-methyl-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-chloro-2-methyl-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-7-chloro-2-methyl-4-(2-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C15H17ClNOS+ MolecularWeight: 294.81958

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)Cl)CC3=CC=CS3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)Cl)CC3=CC=CS3

InChI

InChI=1S/C15H16ClNOS/c1-11-8-17(10-14-3-2-6-19-14)9-12-7-13(16)4-5-15(12)18-11/h2-7,11H,8-10H2,1H3/p+1/t11-/m0/s1