2-[2-(5-chloranyl-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[2-(5-chloranyl-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethyl-azanium dichloride Openeye Name: 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethylammonio]ethyl-diethyl-ammonium dichloride CAS Name: 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethylammonio]ethyl-diethylammonium dichloride IUPAC Name: 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl-diethylazanium dichloride Traditional Name: 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethylammonio]ethyl-diethyl-ammonium dichloride Formula: C16H27Cl3N2O2 MolecularWeight: 385.75678

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CCC1(OC2=C(O1)C=C(C=C2)Cl)C.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CCC1(OC2=C(O1)C=C(C=C2)Cl)C.[Cl-].[Cl-]

InChI

InChI=1S/C16H25ClN2O2.2ClH/c1-4-19(5-2)11-10-18-9-8-16(3)20-14-7-6-13(17)12-15(14)21-16;;/h6-7,12,18H,4-5,8-11H2,1-3H3;2*1H