(6-bromanyl-3-ethoxycarbonyl-1,2-dimethyl-5-oxidanyl-indol-4-yl)methyl-dimethyl-azanium

Systemtic Name: (6-bromanyl-3-ethoxycarbonyl-1,2-dimethyl-5-oxidanyl-indol-4-yl)methyl-dimethyl-azanium Openeye Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-indol-4-yl)methyl-dimethyl-ammonium CAS Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-4-indolyl)methyl-dimethylammonium IUPAC Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1,2-dimethylindol-4-yl)methyl-dimethylazanium Traditional Name: (6-bromo-3-carbethoxy-5-hydroxy-1,2-dimethyl-indol-4-yl)methyl-dimethyl-ammonium Formula: C16H22BrN2O3+ MolecularWeight: 370.26148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O3/c1-6-22-16(21)13-9(2)19(5)12-7-11(17)15(20)10(14(12)13)8-18(3)4/h7,20H,6,8H2,1-5H3/p+1