(4S)-4-phenyl-1-(thian-4-yl)azepan-1-ium

Systemtic Name: (4S)-4-phenyl-1-(thian-4-yl)azepan-1-ium Openeye Name: (4S)-4-phenyl-1-tetrahydrothiopyran-4-yl-azepan-1-ium CAS Name: (4S)-4-phenyl-1-(4-thianyl)azepan-1-ium IUPAC Name: (4S)-4-phenyl-1-(thian-4-yl)azepan-1-ium Traditional Name: (4S)-4-phenyl-1-tetrahydrothiopyran-4-yl-azepan-1-ium Formula: C17H26NS+ MolecularWeight: 276.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)C2CCSCC2)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CC[NH+](C1)C2CCSCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H25NS/c1-2-5-15(6-3-1)16-7-4-11-18(12-8-16)17-9-13-19-14-10-17/h1-3,5-6,16-17H,4,7-14H2/p+1/t16-/m0/s1