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

Systemtic Name: (5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-dimethyl-azanium Openeye Name: (5-acetoxy-6-bromo-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-dimethyl-ammonium CAS Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methyl-2-indolyl)methyl-dimethylammonium IUPAC Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methylindol-2-yl)methyl-dimethylazanium Traditional Name: (5-acetoxy-6-bromo-3-carbethoxy-1-methyl-indol-2-yl)methyl-dimethyl-ammonium Formula: C17H22BrN2O4+ MolecularWeight: 398.27158

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O4/c1-6-23-17(22)16-11-7-15(24-10(2)21)12(18)8-13(11)20(5)14(16)9-19(3)4/h7-8H,6,9H2,1-5H3/p+1