(5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-pyridin-4-yl-azanium bromide

Systemtic Name: (5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-pyridin-4-yl-azanium bromide Openeye Name: (5-acetoxy-6-bromo-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-(4-pyridyl)ammonium bromide CAS Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methyl-2-indolyl)methyl-pyridin-4-ylammonium bromide IUPAC Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methylindol-2-yl)methyl-pyridin-4-ylazanium bromide Traditional Name: (5-acetoxy-6-bromo-3-carbethoxy-1-methyl-indol-2-yl)methyl-(4-pyridyl)ammonium bromide Formula: C20H21Br2N3O4 MolecularWeight: 527.20644

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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[NH2+]C3=CC=NC=C3.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C[NH2+]C3=CC=NC=C3.[Br-]

InChI

InChI=1S/C20H20BrN3O4.BrH/c1-4-27-20(26)19-14-9-18(28-12(2)25)15(21)10-16(14)24(3)17(19)11-23-13-5-7-22-8-6-13;/h5-10H,4,11H2,1-3H3,(H,22,23);1H