(E)-but-2-enedioate; N-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]cyclopentanamine

Systemtic Name: (E)-but-2-enedioate; N-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]cyclopentanamine Openeye Name: (E)-but-2-enedioate; N-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]cyclopentanamine CAS Name: (E)-2-butenedioate; N-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]cyclopentanamine IUPAC Name: (E)-but-2-enedioate; N-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]cyclopentanamine Traditional Name: cyclopentyl-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]amine trifumarate Formula: C42H56N6O12-6 MolecularWeight: 836.92704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1CCC(C2)CNC3CCCC3.CCN1C=NC2=C1CCC(C2)CNC3CCCC3.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN1C2=C(N=C1)CC(CC2)CNC3CCCC3.CCN1C2=C(N=C1)CC(CC2)CNC3CCCC3.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/2C15H25N3.3C4H4O4/c2*1-2-18-11-17-14-9-12(7-8-15(14)18)10-16-13-5-3-4-6-13;3*5-3(6)1-2-4(7)8/h2*11-13,16H,2-10H2,1H3;3*1-2H,(H,5,6)(H,7,8)/p-6/b;;3*2-1+