[2-(4-cyclopentylphenyl)-2-oxidanylidene-ethyl]-diethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(4-cyclopentylphenyl)-2-oxidanylidene-ethyl]-diethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [2-(4-cyclopentylphenyl)-2-oxo-ethyl]-diethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(4-cyclopentylphenyl)-2-oxoethyl]-diethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [2-(4-cyclopentylphenyl)-2-oxoethyl]-diethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [2-(4-cyclopentylphenyl)-2-keto-ethyl]-diethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)C1=CC=C(C=C1)C2CCCC2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC)CC(=O)C1=CC=C(C=C1)C2CCCC2.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H25NO.C4H4O4/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14;5-3(6)1-2-4(7)8/h9-12,14H,3-8,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-