hexyl-[(4-propan-2-ylphenyl)methyl]azanium; hydrogen sulfate

Systemtic Name: hexyl-[(4-propan-2-ylphenyl)methyl]azanium; hydrogen sulfate Openeye Name: hexyl-[(4-isopropylphenyl)methyl]ammonium; hydrogen sulfate CAS Name: hexyl-[(4-propan-2-ylphenyl)methyl]ammonium; hydrogen sulfate IUPAC Name: hexyl-[(4-propan-2-ylphenyl)methyl]azanium; hydrogen sulfate Traditional Name: hexyl-(4-isopropylbenzyl)ammonium bisulfate Formula: C16H29NO4S MolecularWeight: 331.47076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC=C(C=C1)C(C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[NH2+]CC1=CC=C(C=C1)C(C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H27N.H2O4S/c1-4-5-6-7-12-17-13-15-8-10-16(11-9-15)14(2)3;1-5(2,3)4/h8-11,14,17H,4-7,12-13H2,1-3H3;(H2,1,2,3,4)