(Z)-but-2-enedioate; 3-ethynyl-5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium

Systemtic Name: (Z)-but-2-enedioate; 3-ethynyl-5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium Openeye Name: (Z)-but-2-enedioate; 3-ethynyl-5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium CAS Name: (Z)-2-butenedioate; 3-ethynyl-5-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]pyridin-1-ium IUPAC Name: (Z)-but-2-enedioate; 3-ethynyl-5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium Traditional Name: 3-ethynyl-5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium maleate Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C2=C[NH+]=CC(=C2)C#C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC[C@H]1C2=C[NH+]=CC(=C2)C#C.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H14N2.C4H4O4/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2;5-3(6)1-2-4(7)8/h1,7-9,12H,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-;/m0./s1