(E)-but-2-enedioic acid; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Openeye Name: fumaric acid; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide CAS Name: (E)-2-butenedioic acid; 2-[4-[(3S)-3-piperidin-1-iumyl]phenyl]-7-indazolecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Traditional Name: fumaric acid; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Formula: C23H25N4O5+ MolecularWeight: 437.4684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](C[NH2+]C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H20N4O.C4H4O4/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;5-3(6)1-2-4(7)8/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1-2H,(H,5,6)(H,7,8)/p+1/b;2-1+/t14-;/m1./s1