1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-piperidin-1-iumyl)ethanone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-piperidin-1-ium-1-ylethanone; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-piperidin-1-ium-1-yl-ethanone; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H25NO.C4H4O4/c21-18(13-20-10-2-1-3-11-20)19-16-8-4-6-14(16)12-15-7-5-9-17(15)19;5-3(6)1-2-4(7)8/h12H,1-11,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-