1-methyl-1-(2-methyl-4-nitrooxy-butan-2-yl)piperidin-1-ium-3-carboxylic acid

Systemtic Name: 1-methyl-1-(2-methyl-4-nitrooxy-butan-2-yl)piperidin-1-ium-3-carboxylic acid Openeye Name: 1-(1,1-dimethyl-3-nitrooxy-propyl)-1-methyl-piperidin-1-ium-3-carboxylic acid CAS Name: 1-methyl-1-(2-methyl-4-nitrooxybutan-2-yl)-3-piperidin-1-iumcarboxylic acid IUPAC Name: 1-methyl-1-(2-methyl-4-nitrooxybutan-2-yl)piperidin-1-ium-3-carboxylic acid Traditional Name: 1-(1,1-dimethyl-3-nitrooxy-propyl)-1-methyl-piperidin-1-ium-3-carboxylic acid Formula: C12H23N2O5+ MolecularWeight: 275.32142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCO[N+](=O)[O-])[N+]1(CCCC(C1)C(=O)O)C

Isomeric SMILES

CC(C)(CCO[N+](=O)[O-])[N+]1(CCCC(C1)C(=O)O)C

InChI

InChI=1S/C12H22N2O5/c1-12(2,6-8-19-13(17)18)14(3)7-4-5-10(9-14)11(15)16/h10H,4-9H2,1-3H3/p+1