2-[(5-bromanyl-3-phenyl-indol-1-yl)-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[(5-bromanyl-3-phenyl-indol-1-yl)-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethyl-azanium dichloride Openeye Name: 2-[(5-bromo-3-phenyl-indol-1-yl)-[2-(diethylammonio)ethyl]amino]ethyl-diethyl-ammonium dichloride CAS Name: 2-[(5-bromo-3-phenyl-1-indolyl)-[2-(diethylammonio)ethyl]amino]ethyl-diethylammonium dichloride IUPAC Name: 2-[(5-bromo-3-phenylindol-1-yl)-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride Traditional Name: 2-[(5-bromo-3-phenyl-indol-1-yl)-[2-(diethylammonio)ethyl]amino]ethyl-diethyl-ammonium dichloride Formula: C26H39BrCl2N4 MolecularWeight: 558.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC[NH+](CC)CC)N1C=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN(CC[NH+](CC)CC)N1C=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C26H37BrN4.2ClH/c1-5-28(6-2)16-18-30(19-17-29(7-3)8-4)31-21-25(22-12-10-9-11-13-22)24-20-23(27)14-15-26(24)31;;/h9-15,20-21H,5-8,16-19H2,1-4H3;2*1H