2-[3-ethoxycarbonyl-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyethyl-diethyl-azanium chloride

Systemtic Name: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyethyl-diethyl-azanium chloride Openeye Name: 2-[3-ethoxycarbonyl-2-methyl-1-(o-tolyl)indol-5-yl]oxyethyl-diethyl-ammonium chloride CAS Name: 2-[[3-ethoxycarbonyl-2-methyl-1-(2-methylphenyl)-5-indolyl]oxy]ethyl-diethylammonium chloride IUPAC Name: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyethyl-diethylazanium chloride Traditional Name: 2-[3-carbethoxy-2-methyl-1-(o-tolyl)indol-5-yl]oxyethyl-diethyl-ammonium chloride Formula: C25H33ClN2O3 MolecularWeight: 444.99412

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C3=CC=CC=C3C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C3=CC=CC=C3C.[Cl-]

InChI

InChI=1S/C25H32N2O3.ClH/c1-6-26(7-2)15-16-30-20-13-14-23-21(17-20)24(25(28)29-8-3)19(5)27(23)22-12-10-9-11-18(22)4;/h9-14,17H,6-8,15-16H2,1-5H3;1H