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

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-1-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-indol-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(4-morpholin-4-iumylmethyl)-4-indolyl]methyl-dimethylammonium IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indol-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium Formula: C20H30BrN3O4+2 MolecularWeight: 456.3739

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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+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C)C[NH+]3CCOCC3

InChI

InChI=1S/C20H28BrN3O4/c1-5-28-20(26)18-16(12-24-6-8-27-9-7-24)23(4)15-10-14(21)19(25)13(17(15)18)11-22(2)3/h10,25H,5-9,11-12H2,1-4H3/p+2