diethyl-methyl-[4-[4-(pentan-3-ylazaniumyl)phenyl]butyl]azanium diiodide

Systemtic Name: diethyl-methyl-[4-[4-(pentan-3-ylazaniumyl)phenyl]butyl]azanium diiodide Openeye Name: diethyl-[4-[4-(1-ethylpropylammonio)phenyl]butyl]-methyl-ammonium diiodide CAS Name: diethyl-methyl-[4-[4-(pentan-3-ylammonio)phenyl]butyl]ammonium diiodide IUPAC Name: diethyl-methyl-[4-[4-(pentan-3-ylazaniumyl)phenyl]butyl]azanium diiodide Traditional Name: diethyl-[4-[4-(1-ethylpropylammonio)phenyl]butyl]-methyl-ammonium diiodide Formula: C20H38I2N2 MolecularWeight: 560.33806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]C1=CC=C(C=C1)CCCC[N+](C)(CC)CC.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]C1=CC=C(C=C1)CCCC[N+](C)(CC)CC.[I-].[I-]

InChI

InChI=1S/C20H37N2.2HI/c1-6-19(7-2)21-20-15-13-18(14-16-20)12-10-11-17-22(5,8-3)9-4;;/h13-16,19,21H,6-12,17H2,1-5H3;2*1H/q+1;;/p-1