2-ethyl-2-oxidanyl-1-(3-propan-2-ylphenyl)piperazin-1-ium-1-carboxylic acid

Systemtic Name: 2-ethyl-2-oxidanyl-1-(3-propan-2-ylphenyl)piperazin-1-ium-1-carboxylic acid Openeye Name: 2-ethyl-2-hydroxy-1-(3-isopropylphenyl)piperazin-1-ium-1-carboxylic acid CAS Name: 2-ethyl-2-hydroxy-1-(3-propan-2-ylphenyl)-1-piperazin-1-iumcarboxylic acid IUPAC Name: 2-ethyl-2-hydroxy-1-(3-propan-2-ylphenyl)piperazin-1-ium-1-carboxylic acid Traditional Name: 2-ethyl-2-hydroxy-1-m-cumenyl-piperazin-1-ium-1-carboxylic acid Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CNCC[N+]1(C2=CC=CC(=C2)C(C)C)C(=O)O)O

Isomeric SMILES

CCC1(CNCC[N+]1(C2=CC=CC(=C2)C(C)C)C(=O)O)O

InChI

InChI=1S/C16H24N2O3/c1-4-16(21)11-17-8-9-18(16,15(19)20)14-7-5-6-13(10-14)12(2)3/h5-7,10,12,17,21H,4,8-9,11H2,1-3H3/p+1