[1-(2-butoxy-1-phenyl-ethyl)sulfanyl-3-ethyl-pentan-3-yl]azanium; methyl sulfate

Systemtic Name: [1-(2-butoxy-1-phenyl-ethyl)sulfanyl-3-ethyl-pentan-3-yl]azanium; methyl sulfate Openeye Name: [3-(2-butoxy-1-phenyl-ethyl)sulfanyl-1,1-diethyl-propyl]ammonium; methyl sulfate CAS Name: [1-[(2-butoxy-1-phenylethyl)thio]-3-ethylpentan-3-yl]ammonium; methyl sulfate IUPAC Name: [1-(2-butoxy-1-phenylethyl)sulfanyl-3-ethylpentan-3-yl]azanium; methyl sulfate Traditional Name: [3-[(2-butoxy-1-phenyl-ethyl)thio]-1,1-diethyl-propyl]ammonium; methyl sulfate Formula: C20H37NO5S2 MolecularWeight: 435.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C1=CC=CC=C1)SCCC(CC)(CC)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCOCC(C1=CC=CC=C1)SCCC(CC)(CC)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C19H33NOS.CH4O4S/c1-4-7-14-21-16-18(17-11-9-8-10-12-17)22-15-13-19(20,5-2)6-3;1-5-6(2,3)4/h8-12,18H,4-7,13-16,20H2,1-3H3;1H3,(H,2,3,4)