(E)-but-2-enedioate; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

Systemtic Name: (E)-but-2-enedioate; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Openeye Name: (E)-but-2-enedioate; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine CAS Name: (E)-2-butenedioate; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine IUPAC Name: (E)-but-2-enedioate; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Traditional Name: butyl-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)amine trifumarate Formula: C38H52N6O12-6 MolecularWeight: 784.85248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCC2=C(C1)N=CN2CC.CCCCNC1CCC2=C(C1)N=CN2CC.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCNC1CC2=C(N(C=N2)CC)CC1.CCCCNC1CC2=C(N(C=N2)CC)CC1.C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C13H23N3.3C4H4O4/c2*1-3-5-8-14-11-6-7-13-12(9-11)15-10-16(13)4-2;3*5-3(6)1-2-4(7)8/h2*10-11,14H,3-9H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/p-6/b;;3*2-1+