1-(4-cyclopentylphenyl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 1-(4-cyclopentylphenyl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-(4-cyclopentylphenyl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-(4-cyclopentylphenyl)-2-(1-piperidin-1-iumyl)ethanone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-(4-cyclopentylphenyl)-2-piperidin-1-ium-1-ylethanone; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-(4-cyclopentylphenyl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H25NO.C4H4O4/c20-18(14-19-12-4-1-5-13-19)17-10-8-16(9-11-17)15-6-2-3-7-15;5-3(6)1-2-4(7)8/h8-11,15H,1-7,12-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-