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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-(2,4-dichlorobenzyl)-3-[1-(1H-imidazol-3-ium-3-yl)ethyl]indole; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C24H21Cl2N3O4 MolecularWeight: 486.34724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3.C4H4O4/c1-14(24-9-8-23-13-24)18-12-25(20-5-3-2-4-17(18)20)11-15-6-7-16(21)10-19(15)22;5-3(6)1-2-4(7)8/h2-10,12-14H,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-