2-[(6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-2-yl)methylazaniumyl]ethyl-diethyl-azanium

Systemtic Name: 2-[(6-bromanyl-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-2-yl)methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-indol-2-yl)methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-indolyl)methylammonio]ethyl-diethylammonium IUPAC Name: 2-[(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl)methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[(6-bromo-3-carbethoxy-5-hydroxy-1-methyl-indol-2-yl)methylammonio]ethyl-diethyl-ammonium Formula: C19H30BrN3O3+2 MolecularWeight: 428.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CC1=C(C2=CC(=C(C=C2N1C)Br)O)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CC1=C(C2=CC(=C(C=C2N1C)Br)O)C(=O)OCC

InChI

InChI=1S/C19H28BrN3O3/c1-5-23(6-2)9-8-21-12-16-18(19(25)26-7-3)13-10-17(24)14(20)11-15(13)22(16)4/h10-11,21,24H,5-9,12H2,1-4H3/p+2