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2-[(5-chloranyl-3-phenyl-indol-1-yl)-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethyl-azanium dichloride

2-[(5-chloranyl-3-phenyl-indol-1-yl)-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethyl-azanium dichloride

Systemtic Name:2-[(5-chloranyl-3-phenyl-indol-1-yl)-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethyl-azanium dichloride
Openeye Name:2-[(5-chloro-3-phenyl-indol-1-yl)-[2-(dimethylammonio)ethyl]amino]ethyl-dimethyl-ammonium dichloride
CAS Name:2-[(5-chloro-3-phenyl-1-indolyl)-[2-(dimethylammonio)ethyl]amino]ethyl-dimethylammonium dichloride
IUPAC Name:2-[(5-chloro-3-phenylindol-1-yl)-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethylazanium dichloride
Traditional Name:2-[(5-chloro-3-phenyl-indol-1-yl)-[2-(dimethylammonio)ethyl]amino]ethyl-dimethyl-ammonium dichloride
Formula: C22H31Cl3N4
MolecularWeight: 457.86734
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H29ClN4.2ClH/c1-24(2)12-14-26(15-13-25(3)4)27-17-21(18-8-6-5-7-9-18)20-16-19(23)10-11-22(20)27;;/h5-11,16-17H,12-15H2,1-4H3;2*1H


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