(5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-methyl-azanium chloride

Systemtic Name: (5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-methyl-azanium chloride Openeye Name: (5-acetoxy-6-bromo-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-methyl-ammonium chloride CAS Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methyl-2-indolyl)methyl-(2-hydroxyethyl)-methylammonium chloride IUPAC Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methylindol-2-yl)methyl-(2-hydroxyethyl)-methylazanium chloride Traditional Name: (5-acetoxy-6-bromo-3-carbethoxy-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-methyl-ammonium chloride Formula: C18H24BrClN2O5 MolecularWeight: 463.75056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C[NH+](C)CCO.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C[NH+](C)CCO.[Cl-]

InChI

InChI=1S/C18H23BrN2O5.ClH/c1-5-25-18(24)17-12-8-16(26-11(2)23)13(19)9-14(12)21(4)15(17)10-20(3)6-7-22;/h8-9,22H,5-7,10H2,1-4H3;1H