2-[[5-chloranyl-3-(4-methylphenyl)indol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[[5-chloranyl-3-(4-methylphenyl)indol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethyl-azanium dichloride Openeye Name: 2-[[5-chloro-3-(p-tolyl)indol-1-yl]-[2-(diethylammonio)ethyl]amino]ethyl-diethyl-ammonium dichloride CAS Name: 2-[[5-chloro-3-(4-methylphenyl)-1-indolyl]-[2-(diethylammonio)ethyl]amino]ethyl-diethylammonium dichloride IUPAC Name: 2-[[5-chloro-3-(4-methylphenyl)indol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride Traditional Name: 2-[[5-chloro-3-(p-tolyl)indol-1-yl]-[2-(diethylammonio)ethyl]amino]ethyl-diethyl-ammonium dichloride Formula: C27H41Cl3N4 MolecularWeight: 528.00024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN4.2ClH/c1-6-29(7-2)16-18-31(19-17-30(8-3)9-4)32-21-26(23-12-10-22(5)11-13-23)25-20-24(28)14-15-27(25)32;;/h10-15,20-21H,6-9,16-19H2,1-5H3;2*1H