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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O5/c1-10(2)9-14(7-8-19-13(17)18)5-3-11(4-6-14)12(15)16/h10-11H,3-9H2,1-2H3/p+1