3-(1H-imidazol-5-yl)propoxycarbonyl-(5-methylhexan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-(1H-imidazol-5-yl)propoxycarbonyl-(5-methylhexan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1,4-dimethylpentyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [3-(1H-imidazol-5-yl)propoxy-oxomethyl]-(5-methylhexan-2-yl)ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; 3-(1H-imidazol-5-yl)propoxycarbonyl-(5-methylhexan-2-yl)azanium Traditional Name: 1,4-dimethylpentyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(=O)OCCCC1=CN=CN1.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CCC(C)[NH2+]C(=O)OCCCC1=CN=CN1.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C14H25N3O2.C4H4O4/c1-11(2)6-7-12(3)17-14(18)19-8-4-5-13-9-15-10-16-13;5-3(6)1-2-4(7)8/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-