1-[(4-fluorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-[(4-fluorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-(4-fluorobenzyl)-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C24H22FN3O4 MolecularWeight: 435.447583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F)[N+]4=CNC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F)[N+]4=CNC=C4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H18FN3.C4H4O4/c1-15(23-11-10-22-14-23)19-13-24(20-5-3-2-4-18(19)20)12-16-6-8-17(21)9-7-16;5-3(6)1-2-4(7)8/h2-11,13-15H,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-