N-methyl-N-[2-(4-methylphenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium]-1'-yl-butyl]benzamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: N-methyl-N-[2-(4-methylphenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium]-1'-yl-butyl]benzamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; N-methyl-N-[2-(p-tolyl)-4-spiro[1H-isobenzofuran-3,4'-piperidin-1-ium]-1'-yl-butyl]benzamide CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; N-methyl-N-[2-(4-methylphenyl)-4-(1'-spiro[1H-isobenzofuran-3,4'-piperidin-1-ium]yl)butyl]benzamide IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; N-methyl-N-[2-(4-methylphenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium]-1'-ylbutyl]benzamide Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; N-methyl-N-[2-(p-tolyl)-4-spiro[phthalan-1,4'-piperidin-1-ium]-1'-yl-butyl]benzamide Formula: C35H40N2O6 MolecularWeight: 584.7019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC[NH+]2CCC3(CC2)C4=CC=CC=C4CO3)CN(C)C(=O)C5=CC=CC=C5.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC[NH+]2CCC3(CC2)C4=CC=CC=C4CO3)CN(C)C(=O)C5=CC=CC=C5.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C31H36N2O2.C4H4O4/c1-24-12-14-25(15-13-24)27(22-32(2)30(34)26-8-4-3-5-9-26)16-19-33-20-17-31(18-21-33)29-11-7-6-10-28(29)23-35-31;5-3(6)1-2-4(7)8/h3-15,27H,16-23H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+