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

Systemtic Name: (2S)-2-phenyl-4-(thian-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-phenyl-4-tetrahydrothiopyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-phenyl-4-(4-thianyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-phenyl-4-(thian-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-phenyl-4-tetrahydrothiopyran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H24NOS+ MolecularWeight: 326.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

C1CSCCC1[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C20H23NOS/c1-2-6-16(7-3-1)20-15-21(18-10-12-23-13-11-18)14-17-8-4-5-9-19(17)22-20/h1-9,18,20H,10-15H2/p+1/t20-/m1/s1