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

Systemtic Name: 2-[(6-bromanyl-3-ethoxycarbonyl-5-methoxy-1-methyl-indol-2-yl)methylazaniumyl]ethyl-diethyl-azanium dichloride Openeye Name: 2-[(6-bromo-3-ethoxycarbonyl-5-methoxy-1-methyl-indol-2-yl)methylammonio]ethyl-diethyl-ammonium dichloride CAS Name: 2-[(6-bromo-3-ethoxycarbonyl-5-methoxy-1-methyl-2-indolyl)methylammonio]ethyl-diethylammonium dichloride IUPAC Name: 2-[(6-bromo-3-ethoxycarbonyl-5-methoxy-1-methylindol-2-yl)methylazaniumyl]ethyl-diethylazanium dichloride Traditional Name: 2-[(6-bromo-3-carbethoxy-5-methoxy-1-methyl-indol-2-yl)methylammonio]ethyl-diethyl-ammonium dichloride Formula: C20H32BrCl2N3O3 MolecularWeight: 513.29638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30BrN3O3.2ClH/c1-6-24(7-2)10-9-22-13-17-19(20(25)27-8-3)14-11-18(26-5)15(21)12-16(14)23(17)4;;/h11-12,22H,6-10,13H2,1-5H3;2*1H