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

Systemtic Name: [2-(4-cyclopentylphenyl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: benzyl-[2-(4-cyclopentylphenyl)-2-oxo-ethyl]-methyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(4-cyclopentylphenyl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: benzyl-[2-(4-cyclopentylphenyl)-2-keto-ethyl]-methyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H25NO.C4H4O4/c1-22(15-17-7-3-2-4-8-17)16-21(23)20-13-11-19(12-14-20)18-9-5-6-10-18;5-3(6)1-2-4(7)8/h2-4,7-8,11-14,18H,5-6,9-10,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-