(E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)indazole

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)indazole Openeye Name: fumaric acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)indazole CAS Name: (E)-2-butenedioic acid; 1-(2-methoxyphenyl)-3-(1-methyl-1-piperidin-1-iumyl)indazole IUPAC Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)indazole Traditional Name: fumaric acid; 1-(2-methoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)indazole Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[N+]1(CCCCC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24N3O.C4H4O4/c1-23(14-8-3-9-15-23)20-16-10-4-5-11-17(16)22(21-20)18-12-6-7-13-19(18)24-2;5-3(6)1-2-4(7)8/h4-7,10-13H,3,8-9,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+