(E)-but-2-enedioate; butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium

Systemtic Name: (E)-but-2-enedioate; butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium Openeye Name: (E)-but-2-enedioate; butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)ammonium CAS Name: (E)-2-butenedioate; butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)ammonium IUPAC Name: (E)-but-2-enedioate; butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium Traditional Name: butyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)ammonium fumarate Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1CCC2=C(C1)[NH+]=C[NH+]2CC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[NH2+]C1CCC2=C(C1)[NH+]=C[NH+]2CC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C13H23N3.C4H4O4/c1-3-5-8-14-11-6-7-13-12(9-11)15-10-16(13)4-2;5-3(6)1-2-4(7)8/h10-11,14H,3-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p+1/b;2-1+