2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-chloro-3-hydroxy-phenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)acetic acid CAS Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-1-indol-1-iumyl)acetic acid IUPAC Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methylindol-1-ium-1-yl)acetic acid Traditional Name: 2-(3-carbethoxy-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(4-chloro-3-hydroxy-phenyl)acetic acid Formula: C22H23ClNO5+ MolecularWeight: 416.87472

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C2=CC=CC=C21)C(=O)OCC)C)C(C3=CC(=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C2=CC=CC=C21)C(=O)OCC)C)C(C3=CC(=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C22H22ClNO5/c1-4-24(20(21(26)27)14-10-11-16(23)18(25)12-14)13(3)19(22(28)29-5-2)15-8-6-7-9-17(15)24/h6-12,20H,4-5H2,1-3H3,(H-,25,26,27)/p+1