6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(piperidin-1-ylmethyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-(piperidin-1-ylmethyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(1-piperidylmethyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(1-piperidinylmethyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(piperidin-1-ylmethyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-(piperidinomethyl)-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)[N+]2(C=C1CN3CCCCC3)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)[N+]2(C=C1CN3CCCCC3)C(=O)O)C(C)O

InChI

InChI=1S/C16H24N2O4/c1-10-12(8-17-6-4-3-5-7-17)9-18(16(21)22)14(10)13(11(2)19)15(18)20/h9-11,13-14,19H,3-8H2,1-2H3/p+1