(E)-2-azanyl-4-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]but-3-enoic acid

Systemtic Name: (E)-2-azanyl-4-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]but-3-enoic acid Openeye Name: (E)-2-amino-4-[5-(2-amino-3-hydroxy-3-oxo-propyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]but-3-enoic acid CAS Name: (E)-2-amino-4-[5-(2-amino-3-hydroxy-3-oxopropyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]-3-butenoic acid IUPAC Name: (E)-2-amino-4-[5-(2-amino-3-hydroxy-3-oxopropyl)-1,1,3-trimethyl-2H-imidazol-1-ium-2-yl]but-3-enoic acid Traditional Name: (E)-2-amino-4-[5-(2-amino-3-hydroxy-3-keto-propyl)-1,1,3-trimethyl-4-imidazolin-1-ium-2-yl]but-3-enoic acid Formula: C13H23N4O4+ MolecularWeight: 299.34612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C([N+](C1C=CC(C(=O)O)N)(C)C)CC(C(=O)O)N

Isomeric SMILES

CN1C=C([N+](C1/C=C/C(C(=O)O)N)(C)C)CC(C(=O)O)N

InChI

InChI=1S/C13H22N4O4/c1-16-7-8(6-10(15)13(20)21)17(2,3)11(16)5-4-9(14)12(18)19/h4-5,7,9-11H,6,14-15H2,1-3H3,(H-,18,19,20,21)/p+1/b5-4+