2-azanyl-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-1-ium-4-one

Systemtic Name: 2-azanyl-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-1-ium-4-one Openeye Name: 2-amino-7,7-dimethyl-6,8-dihydro-5H-thiazolo[5,4-c]azepin-1-ium-4-one CAS Name: 2-amino-7,7-dimethyl-6,8-dihydro-5H-thiazolo[5,4-c]azepin-1-ium-4-one IUPAC Name: 2-amino-7,7-dimethyl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-1-ium-4-one Traditional Name: 2-amino-7,7-dimethyl-6,8-dihydro-5H-thiazol[5,4-c]azepin-1-ium-4-one Formula: C9H14N3OS+ MolecularWeight: 212.29196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)NC1)SC(=[NH+]2)N)C

Isomeric SMILES

CC1(CC2=C(C(=O)NC1)SC(=[NH+]2)N)C

InChI

InChI=1S/C9H13N3OS/c1-9(2)3-5-6(7(13)11-4-9)14-8(10)12-5/h3-4H2,1-2H3,(H2,10,12)(H,11,13)/p+1