(4-methyl-4-sulfanyl-piperazin-4-ium-1-yl)-pyrrolidin-2-yl-methanone

Systemtic Name: (4-methyl-4-sulfanyl-piperazin-4-ium-1-yl)-pyrrolidin-2-yl-methanone Openeye Name: (4-methyl-4-sulfanyl-piperazin-4-ium-1-yl)-pyrrolidin-2-yl-methanone CAS Name: (4-mercapto-4-methyl-1-piperazin-4-iumyl)-(2-pyrrolidinyl)methanone IUPAC Name: (4-methyl-4-sulfanylpiperazin-4-ium-1-yl)-pyrrolidin-2-ylmethanone Traditional Name: (4-mercapto-4-methyl-piperazin-4-ium-1-yl)-pyrrolidin-2-yl-methanone Formula: C10H20N3OS+ MolecularWeight: 230.3503

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2CCCN2)S

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2CCCN2)S

InChI

InChI=1S/C10H20N3OS/c1-13(15)7-5-12(6-8-13)10(14)9-3-2-4-11-9/h9,11,15H,2-8H2,1H3/q+1