[3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxy-indol-2-yl]methyl-diethyl-azanium chloride

Systemtic Name: [3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxy-indol-2-yl]methyl-diethyl-azanium chloride Openeye Name: [3-ethoxycarbonyl-1-methyl-5-(p-tolylsulfonyloxy)indol-2-yl]methyl-diethyl-ammonium chloride CAS Name: [3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxy-2-indolyl]methyl-diethylammonium chloride IUPAC Name: [3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride Traditional Name: (3-carbethoxy-1-methyl-5-tosyloxy-indol-2-yl)methyl-diethyl-ammonium chloride Formula: C24H31ClN2O5S MolecularWeight: 495.03134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=C(N1C)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=C(N1C)C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC.[Cl-]

InChI

InChI=1S/C24H30N2O5S.ClH/c1-6-26(7-2)16-22-23(24(27)30-8-3)20-15-18(11-14-21(20)25(22)5)31-32(28,29)19-12-9-17(4)10-13-19;/h9-15H,6-8,16H2,1-5H3;1H