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

Systemtic Name: [6-bromanyl-2-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-2-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-1-methyl-indol-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-2-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-1-methyl-4-indolyl]methyl-dimethylammonium IUPAC Name: [6-bromo-2-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-hydroxy-1-methylindol-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-2-[(dimethylammonio)methyl]-5-hydroxy-1-methyl-indol-4-yl]methyl-dimethyl-ammonium Formula: C18H28BrN3O3+2 MolecularWeight: 414.33722

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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[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O3/c1-7-25-18(24)16-14(10-21(4)5)22(6)13-8-12(19)17(23)11(15(13)16)9-20(2)3/h8,23H,7,9-10H2,1-6H3/p+2