1-(2-methyl-2-nitrososulfanyl-propyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-methyl-2-nitrososulfanyl-propyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-methyl-2-nitrososulfanyl-propyl)piperidine-4-carboxylic acid CAS Name: 1-[2-methyl-2-(nitrosothio)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-2-nitrososulfanylpropyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-methyl-2-(nitrosothio)propyl]isonipecotic acid Formula: C10H18N2O3S MolecularWeight: 246.32652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCC(CC1)C(=O)O)SN=O

Isomeric SMILES

CC(C)(CN1CCC(CC1)C(=O)O)SN=O

InChI

InChI=1S/C10H18N2O3S/c1-10(2,16-11-15)7-12-5-3-8(4-6-12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)