[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxo-ethyl]-methyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-keto-ethyl]-methyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C22H25NO.C4H4O4/c1-23(14-16-7-3-2-4-8-16)15-21(24)22-19-11-5-9-17(19)13-18-10-6-12-20(18)22;5-3(6)1-2-4(7)8/h2-4,7-8,13H,5-6,9-12,14-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-