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

Systemtic Name: heptyl-[(4-propan-2-ylphenyl)methyl]azanium; hydrogen sulfate Openeye Name: heptyl-[(4-isopropylphenyl)methyl]ammonium; hydrogen sulfate CAS Name: heptyl-[(4-propan-2-ylphenyl)methyl]ammonium; hydrogen sulfate IUPAC Name: heptyl-[(4-propan-2-ylphenyl)methyl]azanium; hydrogen sulfate Traditional Name: heptyl-(4-isopropylbenzyl)ammonium bisulfate Formula: C17H31NO4S MolecularWeight: 345.49734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N.H2O4S/c1-4-5-6-7-8-13-18-14-16-9-11-17(12-10-16)15(2)3;1-5(2,3)4/h9-12,15,18H,4-8,13-14H2,1-3H3;(H2,1,2,3,4)