pentan-3-yl-[2-[2-(pentan-3-ylazaniumyl)ethylsulfanyl]ethyl]azanium dichloride

Systemtic Name: pentan-3-yl-[2-[2-(pentan-3-ylazaniumyl)ethylsulfanyl]ethyl]azanium dichloride Openeye Name: 1-ethylpropyl-[2-[2-(1-ethylpropylammonio)ethylsulfanyl]ethyl]ammonium dichloride CAS Name: pentan-3-yl-[2-[2-(pentan-3-ylammonio)ethylthio]ethyl]ammonium dichloride IUPAC Name: pentan-3-yl-[2-[2-(pentan-3-ylazaniumyl)ethylsulfanyl]ethyl]azanium dichloride Traditional Name: 1-ethylpropyl-[2-[2-(1-ethylpropylammonio)ethylthio]ethyl]ammonium dichloride Formula: C14H34Cl2N2S MolecularWeight: 333.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCSCC[NH2+]C(CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCC(CC)[NH2+]CCSCC[NH2+]C(CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C14H32N2S.2ClH/c1-5-13(6-2)15-9-11-17-12-10-16-14(7-3)8-4;;/h13-16H,5-12H2,1-4H3;2*1H