1-(1,2-thiazepin-2-ium-2-ylmethyl)pyrrolidin-2-one chloride

Systemtic Name: 1-(1,2-thiazepin-2-ium-2-ylmethyl)pyrrolidin-2-one chloride Openeye Name: 1-(thiazepin-2-ium-2-ylmethyl)pyrrolidin-2-one chloride CAS Name: 1-(2-thiazepin-2-iumylmethyl)-2-pyrrolidinone chloride IUPAC Name: 1-(thiazepin-2-ium-2-ylmethyl)pyrrolidin-2-one chloride Traditional Name: 1-(thiazepin-2-ium-2-ylmethyl)-2-pyrrolidone chloride Formula: C10H13ClN2OS MolecularWeight: 244.74102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C[N+]2=CC=CC=CS2.[Cl-]

Isomeric SMILES

C1CC(=O)N(C1)C[N+]2=CC=CC=CS2.[Cl-]

InChI

InChI=1S/C10H13N2OS.ClH/c13-10-5-4-6-11(10)9-12-7-2-1-3-8-14-12;/h1-3,7-8H,4-6,9H2;1H/q+1;/p-1