methyl(4-propylhept-1-en-4-yl)azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl(4-propylhept-1-en-4-yl)azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1,1-dipropylbut-3-enyl(methyl)ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; methyl(4-propylhept-1-en-4-yl)ammonium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; methyl(4-propylhept-1-en-4-yl)azanium Traditional Name: 1,1-dipropylbut-3-enyl(methyl)ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C15H27NO4 MolecularWeight: 285.37918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(CC=C)[NH2+]C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCC(CCC)(CC=C)[NH2+]C.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H23N.C4H4O4/c1-5-8-11(12-4,9-6-2)10-7-3;5-3(6)1-2-4(7)8/h5,12H,1,6-10H2,2-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+