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

Systemtic Name: 2-[5-chloranyl-1-(2,6-dimethoxyphenyl)-1-methyl-3-(2-methylphenyl)indol-1-ium-2-yl]ethanamide Openeye Name: 2-[5-chloro-1-(2,6-dimethoxyphenyl)-1-methyl-3-(o-tolyl)indol-1-ium-2-yl]acetamide CAS Name: 2-[5-chloro-1-(2,6-dimethoxyphenyl)-1-methyl-3-(2-methylphenyl)-2-indol-1-iumyl]acetamide IUPAC Name: 2-[5-chloro-1-(2,6-dimethoxyphenyl)-1-methyl-3-(2-methylphenyl)indol-1-ium-2-yl]acetamide Traditional Name: 2-[5-chloro-1-(2,6-dimethoxyphenyl)-1-methyl-3-(o-tolyl)indol-1-ium-2-yl]acetamide Formula: C26H26ClN2O3+ MolecularWeight: 449.94924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C([N+](C3=C2C=C(C=C3)Cl)(C)C4=C(C=CC=C4OC)OC)CC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C([N+](C3=C2C=C(C=C3)Cl)(C)C4=C(C=CC=C4OC)OC)CC(=O)N

InChI

InChI=1S/C26H25ClN2O3/c1-16-8-5-6-9-18(16)25-19-14-17(27)12-13-20(19)29(2,21(25)15-24(28)30)26-22(31-3)10-7-11-23(26)32-4/h5-14H,15H2,1-4H3,(H-,28,30)/p+1