6-(azepan-1-ylsulfonyl)-2,7-dimethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2,7-dimethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-(azepan-1-ylsulfonyl)-2,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-(1-azepanylsulfonyl)-2,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-2,7-dimethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-(azepan-1-ylsulfonyl)-2,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C14H20N3O3S2+ MolecularWeight: 342.4569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C14H19N3O3S2/c1-10-9-17-13(18)12(11(2)15-14(17)21-10)22(19,20)16-7-5-3-4-6-8-16/h9H,3-8H2,1-2H3/p+1