(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 3-phenyl-N-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylbutyl)-1,2-oxazol-5-amine

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 3-phenyl-N-(phenylmethyl)-N-(3-pyrrolidin-1-ium-1-ylbutyl)-1,2-oxazol-5-amine Openeye Name: N-benzyl-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylbutyl)isoxazol-5-amine; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 3-phenyl-N-(phenylmethyl)-N-[3-(1-pyrrolidin-1-iumyl)butyl]-5-isoxazolamine IUPAC Name: N-benzyl-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylbutyl)-1,2-oxazol-5-amine; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: benzyl-(3-phenylisoxazol-5-yl)-(3-pyrrolidin-1-ium-1-ylbutyl)amine; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(CC1=CC=CC=C1)C2=CC(=NO2)C3=CC=CC=C3)[NH+]4CCCC4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(CCN(CC1=CC=CC=C1)C2=CC(=NO2)C3=CC=CC=C3)[NH+]4CCCC4.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C24H29N3O.C4H4O4/c1-20(26-15-8-9-16-26)14-17-27(19-21-10-4-2-5-11-21)24-18-23(25-28-24)22-12-6-3-7-13-22;5-3(6)1-2-4(7)8/h2-7,10-13,18,20H,8-9,14-17,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+