2-(azepan-1-ium-1-ylidene)-3-methyl-1,3,4-thiadiazinan-5-one

Systemtic Name: 2-(azepan-1-ium-1-ylidene)-3-methyl-1,3,4-thiadiazinan-5-one Openeye Name: 2-(azepan-1-ium-1-ylidene)-3-methyl-1,3,4-thiadiazinan-5-one CAS Name: 2-(1-azepan-1-iumylidene)-3-methyl-1,3,4-thiadiazinan-5-one IUPAC Name: 2-(azepan-1-ium-1-ylidene)-3-methyl-1,3,4-thiadiazinan-5-one Traditional Name: 2-(azepan-1-ium-1-ylidene)-3-methyl-1,3,4-thiadiazinan-5-one Formula: C10H18N3OS+ MolecularWeight: 228.33442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+]2CCCCCC2)SCC(=O)N1

Isomeric SMILES

CN1C(=[N+]2CCCCCC2)SCC(=O)N1

InChI

InChI=1S/C10H17N3OS/c1-12-10(15-8-9(14)11-12)13-6-4-2-3-5-7-13/h2-8H2,1H3/p+1