hydrogen sulfate; 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]-1-propyl-piperidin-1-ium

Systemtic Name: hydrogen sulfate; 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]-1-propyl-piperidin-1-ium Openeye Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-propyl-piperidin-1-ium; hydrogen sulfate CAS Name: hydrogen sulfate; 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]-1-propylpiperidin-1-ium IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-propylpiperidin-1-ium; hydrogen sulfate Traditional Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-propyl-piperidin-1-ium bisulfate Formula: C24H35NO5S MolecularWeight: 449.6034

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3.OS(=O)(=O)[O-]

Isomeric SMILES

CCC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3.OS(=O)(=O)[O-]

InChI

InChI=1S/C24H34NO.H2O4S/c1-3-16-25(17-10-5-11-18-25)21(2)20-26-24-15-9-8-14-23(24)19-22-12-6-4-7-13-22;1-5(2,3)4/h4,6-9,12-15,21H,3,5,10-11,16-20H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1