[6-bromanyl-3-ethoxycarbonyl-2-[[methyl(phenyl)amino]methyl]-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-2-[[methyl(phenyl)amino]methyl]-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-2-[(N-methylanilino)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-2-[(N-methylanilino)methyl]-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-2-[(N-methylanilino)methyl]benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C22H26BrN2O4+ MolecularWeight: 462.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C[NH+](C)C)O)Br)CN(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C[NH+](C)C)O)Br)CN(C)C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O4/c1-5-28-22(27)20-18(13-25(4)14-9-7-6-8-10-14)29-17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3/p+1