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

Systemtic Name: 1-methyl-1-(1,2-thiazepin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one Openeye Name: 1-methyl-1-(thiazepin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one CAS Name: 1-methyl-1-(2-thiazepin-2-iumylmethyl)-2-pyrrolidin-1-iumone IUPAC Name: 1-methyl-1-(thiazepin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one Traditional Name: 1-methyl-1-(thiazepin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one Formula: C11H16N2OS+2 MolecularWeight: 224.32254

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1=O)C[N+]2=CC=CC=CS2

Isomeric SMILES

C[N+]1(CCCC1=O)C[N+]2=CC=CC=CS2

InChI

InChI=1S/C11H16N2OS/c1-13(8-5-6-11(13)14)10-12-7-3-2-4-9-15-12/h2-4,7,9H,5-6,8,10H2,1H3/q+2