hydrogen sulfate; 3-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium

Systemtic Name: hydrogen sulfate; 3-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium Openeye Name: 3-[(4-benzyloxyphenyl)methyl]piperidin-1-ium; hydrogen sulfate CAS Name: hydrogen sulfate; 3-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium IUPAC Name: hydrogen sulfate; 3-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium Traditional Name: 3-(4-benzoxybenzyl)piperidin-1-ium bisulfate Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3.OS(=O)(=O)[O-]

Isomeric SMILES

C1CC(C[NH2+]C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3.OS(=O)(=O)[O-]

InChI

InChI=1S/C19H23NO.H2O4S/c1-2-5-17(6-3-1)15-21-19-10-8-16(9-11-19)13-18-7-4-12-20-14-18;1-5(2,3)4/h1-3,5-6,8-11,18,20H,4,7,12-15H2;(H2,1,2,3,4)