2-[5-chloranyl-1-(2,6-diethoxyphenyl)-3-(2-methoxyphenyl)-1-methyl-indol-1-ium-2-yl]ethanamide

Systemtic Name: 2-[5-chloranyl-1-(2,6-diethoxyphenyl)-3-(2-methoxyphenyl)-1-methyl-indol-1-ium-2-yl]ethanamide Openeye Name: 2-[5-chloro-1-(2,6-diethoxyphenyl)-3-(2-methoxyphenyl)-1-methyl-indol-1-ium-2-yl]acetamide CAS Name: 2-[5-chloro-1-(2,6-diethoxyphenyl)-3-(2-methoxyphenyl)-1-methyl-2-indol-1-iumyl]acetamide IUPAC Name: 2-[5-chloro-1-(2,6-diethoxyphenyl)-3-(2-methoxyphenyl)-1-methylindol-1-ium-2-yl]acetamide Traditional Name: 2-[5-chloro-1-(2,6-diethoxyphenyl)-3-(2-methoxyphenyl)-1-methyl-indol-1-ium-2-yl]acetamide Formula: C28H30ClN2O4+ MolecularWeight: 494.0018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC=C1)OCC)[N+]2(C3=C(C=C(C=C3)Cl)C(=C2CC(=O)N)C4=CC=CC=C4OC)C

Isomeric SMILES

CCOC1=C(C(=CC=C1)OCC)[N+]2(C3=C(C=C(C=C3)Cl)C(=C2CC(=O)N)C4=CC=CC=C4OC)C

InChI

InChI=1S/C28H29ClN2O4/c1-5-34-24-12-9-13-25(35-6-2)28(24)31(3)21-15-14-18(29)16-20(21)27(22(31)17-26(30)32)19-10-7-8-11-23(19)33-4/h7-16H,5-6,17H2,1-4H3,(H-,30,32)/p+1