3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; N-(2-methyl-3-pyrrolidin-1-ium-1-yl-propyl)-3-phenyl-N-(phenylmethyl)-1,2-oxazol-5-amine

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; N-(2-methyl-3-pyrrolidin-1-ium-1-yl-propyl)-3-phenyl-N-(phenylmethyl)-1,2-oxazol-5-amine Openeye Name: N-benzyl-N-(2-methyl-3-pyrrolidin-1-ium-1-yl-propyl)-3-phenyl-isoxazol-5-amine; 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; N-[2-methyl-3-(1-pyrrolidin-1-iumyl)propyl]-3-phenyl-N-(phenylmethyl)-5-isoxazolamine IUPAC Name: N-benzyl-N-(2-methyl-3-pyrrolidin-1-ium-1-ylpropyl)-3-phenyl-1,2-oxazol-5-amine; 3-carboxy-3,5-dihydroxy-5-oxopentanoate Traditional Name: benzyl-(2-methyl-3-pyrrolidin-1-ium-1-yl-propyl)-(3-phenylisoxazol-5-yl)amine; 3-carboxy-3,5-dihydroxy-5-keto-valerate Formula: C30H37N3O8 MolecularWeight: 567.63008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1)CN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

Isomeric SMILES

CC(C[NH+]1CCCC1)CN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

InChI

InChI=1S/C24H29N3O.C6H8O7/c1-20(17-26-14-8-9-15-26)18-27(19-21-10-4-2-5-11-21)24-16-23(25-28-24)22-12-6-3-7-13-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,10-13,16,20H,8-9,14-15,17-19H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)