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

Systemtic Name: (6-bromanyl-1-cyclohexyl-3-ethoxycarbonyl-5-oxidanyl-indol-2-yl)methyl-dimethyl-azanium Openeye Name: (6-bromo-1-cyclohexyl-3-ethoxycarbonyl-5-hydroxy-indol-2-yl)methyl-dimethyl-ammonium CAS Name: (6-bromo-1-cyclohexyl-3-ethoxycarbonyl-5-hydroxy-2-indolyl)methyl-dimethylammonium IUPAC Name: (6-bromo-1-cyclohexyl-3-ethoxycarbonyl-5-hydroxyindol-2-yl)methyl-dimethylazanium Traditional Name: (6-bromo-3-carbethoxy-1-cyclohexyl-5-hydroxy-indol-2-yl)methyl-dimethyl-ammonium Formula: C20H28BrN2O3+ MolecularWeight: 424.35192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)C[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)C[NH+](C)C

InChI

InChI=1S/C20H27BrN2O3/c1-4-26-20(25)19-14-10-18(24)15(21)11-16(14)23(17(19)12-22(2)3)13-8-6-5-7-9-13/h10-11,13,24H,4-9,12H2,1-3H3/p+1