1-butyl-1-(2-nitrooxyethyl)piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-butyl-1-(2-nitrooxyethyl)piperidin-1-ium-4-carboxylic acid Openeye Name: 1-butyl-1-(2-nitrooxyethyl)piperidin-1-ium-4-carboxylic acid CAS Name: 1-butyl-1-(2-nitrooxyethyl)-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-butyl-1-(2-nitrooxyethyl)piperidin-1-ium-4-carboxylic acid Traditional Name: 1-butyl-1-(2-nitrooxyethyl)piperidin-1-ium-4-carboxylic acid Formula: C12H23N2O5+ MolecularWeight: 275.32142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)C(=O)O)CCO[N+](=O)[O-]

Isomeric SMILES

CCCC[N+]1(CCC(CC1)C(=O)O)CCO[N+](=O)[O-]

InChI

InChI=1S/C12H22N2O5/c1-2-3-6-14(9-10-19-13(17)18)7-4-11(5-8-14)12(15)16/h11H,2-10H2,1H3/p+1