(E)-but-2-enedioic acid; 6-(3,4-dichlorophenyl)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

Systemtic Name: (E)-but-2-enedioic acid; 6-(3,4-dichlorophenyl)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine Openeye Name: 6-(3,4-dichlorophenyl)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-(3,4-dichlorophenyl)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine IUPAC Name: (E)-but-2-enedioic acid; 6-(3,4-dichlorophenyl)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine Traditional Name: 6-(3,4-dichlorophenyl)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine; fumaric acid Formula: C18H18Cl2N2O4 MolecularWeight: 397.25252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=C(N2CCN1)C3=CC(=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1C2=CC=C(N2CCN1)C3=CC(=C(C=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14Cl2N2.C4H4O4/c1-9-13-4-5-14(18(13)7-6-17-9)10-2-3-11(15)12(16)8-10;5-3(6)1-2-4(7)8/h2-5,8-9,17H,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+