(E)-but-2-enedioate; 1-(3-ethylpent-1-yn-3-yl)azetidin-3-ol; N-methylcarbamate

Systemtic Name: (E)-but-2-enedioate; 1-(3-ethylpent-1-yn-3-yl)azetidin-3-ol; N-methylcarbamate Openeye Name: (E)-but-2-enedioate; 1-(1,1-diethylprop-2-ynyl)azetidin-3-ol; N-methylcarbamate CAS Name: (E)-2-butenedioate; 1-(3-ethylpent-1-yn-3-yl)-3-azetidinol; N-methylcarbamate IUPAC Name: (E)-but-2-enedioate; 1-(3-ethylpent-1-yn-3-yl)azetidin-3-ol; N-methylcarbamate Traditional Name: 1-(1,1-diethylprop-2-ynyl)azetidin-3-ol; N-methylcarbamate; fumarate Formula: C16H23N2O7-3 MolecularWeight: 355.36302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)N1CC(C1)O.CNC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(CC)(C#C)N1CC(C1)O.CNC(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H17NO.C4H4O4.C2H5NO2/c1-4-10(5-2,6-3)11-7-9(12)8-11;5-3(6)1-2-4(7)8;1-3-2(4)5/h1,9,12H,5-8H2,2-3H3;1-2H,(H,5,6)(H,7,8);3H,1H3,(H,4,5)/p-3/b;2-1+;