6-[4-(1,3-benzodioxol-5-ylmethylamino)butyl]-4-methyl-pyridin-2-amine; (E)-but-2-enedioic acid

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethylamino)butyl]-4-methyl-pyridin-2-amine; (E)-but-2-enedioic acid Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethylamino)butyl]-4-methyl-pyridin-2-amine; fumaric acid CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethylamino)butyl]-4-methyl-2-pyridinamine; (E)-2-butenedioic acid IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethylamino)butyl]-4-methylpyridin-2-amine; (E)-but-2-enedioic acid Traditional Name: 4-(6-amino-4-methyl-2-pyridyl)butyl-piperonyl-amine; fumaric acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)N)CCCCNCC2=CC3=C(C=C2)OCO3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=C1)N)CCCCNCC2=CC3=C(C=C2)OCO3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23N3O2.C4H4O4/c1-13-8-15(21-18(19)9-13)4-2-3-7-20-11-14-5-6-16-17(10-14)23-12-22-16;5-3(6)1-2-4(7)8/h5-6,8-10,20H,2-4,7,11-12H2,1H3,(H2,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+