2-(2-azanylspiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-phenyl-ethanone

Systemtic Name: 2-(2-azanylspiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-phenyl-ethanone Openeye Name: 2-(2-aminospiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-phenyl-ethanone CAS Name: 2-(2-amino-3-spiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]yl)-1-phenylethanone IUPAC Name: 2-(2-aminospiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-phenylethanone Traditional Name: 2-(2-aminospiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-phenyl-ethanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CCC3=C(C2)SC(=[N+]3CC(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1CCC2(CC1)CCC3=C(C2)SC(=[N+]3CC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C20H24N2OS/c21-19-22(14-17(23)15-7-3-1-4-8-15)16-9-12-20(13-18(16)24-19)10-5-2-6-11-20/h1,3-4,7-8,21H,2,5-6,9-14H2/p+1