N-methyl-N-(2-naphthalen-2-yl-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-naphthalen-2-yl-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-(2-naphthyl)-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-(2-naphthalenyl)-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-naphthalen-2-yl-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-(2-naphthyl)-4-spiro[phthalan-1,4'-piperidin-1-ium]-1'-yl-butyl]benzamide Formula: C38H40N2O6 MolecularWeight: 620.734

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CC[NH+]1CCC2(CC1)C3=CC=CC=C3CO2)C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CN(CC(CC[NH+]1CCC2(CC1)C3=CC=CC=C3CO2)C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C34H36N2O2.C4H4O4/c1-35(33(37)27-10-3-2-4-11-27)24-30(29-16-15-26-9-5-6-12-28(26)23-29)17-20-36-21-18-34(19-22-36)32-14-8-7-13-31(32)25-38-34;5-3(6)1-2-4(7)8/h2-16,23,30H,17-22,24-25H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+