3-ethyl-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-1,3-dicarboxylic acid

Systemtic Name: 3-ethyl-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-1,3-dicarboxylic acid Openeye Name: 1-benzyl-3-ethyl-4-oxo-piperidin-1-ium-1,3-dicarboxylic acid CAS Name: 3-ethyl-4-oxo-1-(phenylmethyl)piperidin-1-ium-1,3-dicarboxylic acid IUPAC Name: 1-benzyl-3-ethyl-4-oxopiperidin-1-ium-1,3-dicarboxylic acid Traditional Name: 1-benzyl-3-ethyl-4-keto-piperidin-1-ium-1,3-dicarboxylic acid Formula: C16H20NO5+ MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[N+](CCC1=O)(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC1(C[N+](CCC1=O)(CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H19NO5/c1-2-16(14(19)20)11-17(15(21)22,9-8-13(16)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H-,19,20,21,22)/p+1