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

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-1-methyl-2-[(4-nitrophenoxy)methyl]-5-oxidanyl-indol-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indol-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]-4-indolyl]methyl-dimethylammonium IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indol-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indol-4-yl]methyl-dimethyl-ammonium Formula: C22H25BrN3O6+ MolecularWeight: 507.3544

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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)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24BrN3O6/c1-5-31-22(28)20-18(12-32-14-8-6-13(7-9-14)26(29)30)25(4)17-10-16(23)21(27)15(19(17)20)11-24(2)3/h6-10,27H,5,11-12H2,1-4H3/p+1