hydrogen sulfate; (phenylmethyl)-tripropyl-azanium

Systemtic Name: hydrogen sulfate; (phenylmethyl)-tripropyl-azanium Openeye Name: benzyl(tripropyl)ammonium; hydrogen sulfate CAS Name: hydrogen sulfate; (phenylmethyl)-tripropylammonium IUPAC Name: benzyl(tripropyl)azanium; hydrogen sulfate Traditional Name: benzyl(tripropyl)ammonium bisulfate Formula: C16H29NO4S MolecularWeight: 331.47076

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.OS(=O)(=O)[O-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H28N.H2O4S/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-5(2,3)4/h7-11H,4-6,12-15H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1