1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-ium-1-yl-ethanone; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H23NO.C4H4O4/c20-17(12-19-9-1-2-10-19)18-15-7-3-5-13(15)11-14-6-4-8-16(14)18;5-3(6)1-2-4(7)8/h11H,1-10,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-