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

Systemtic Name: 3-(1H-imidazol-5-yl)propoxycarbonyl-prop-2-enyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: allyl-[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]-prop-2-enylammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; 3-(1H-imidazol-5-yl)propoxycarbonyl-prop-2-enylazanium Traditional Name: allyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O2.C4H4O4/c1-2-5-12-10(14)15-6-3-4-9-7-11-8-13-9;5-3(6)1-2-4(7)8/h2,7-8H,1,3-6H2,(H,11,13)(H,12,14);1-2H,(H,5,6)(H,7,8)/b;2-1-