N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-ethanamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-ethanamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-acetamide CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; N-(1-methyl-3-pyrrolidin-1-iumyl)-N-phenylacetamide IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-acetamide Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CC[NH+](C1)C)C2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)N(C1CC[NH+](C1)C)C2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H18N2O.C4H4O4/c1-11(16)15(12-6-4-3-5-7-12)13-8-9-14(2)10-13;5-3(6)1-2-4(7)8/h3-7,13H,8-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+