1-(chloromethyl)-3-ethyl-3-methyl-4H-isoquinoline; sulfuric acid

Systemtic Name: 1-(chloromethyl)-3-ethyl-3-methyl-4H-isoquinoline; sulfuric acid Openeye Name: 1-(chloromethyl)-3-ethyl-3-methyl-4H-isoquinoline; sulfuric acid CAS Name: 1-(chloromethyl)-3-ethyl-3-methyl-4H-isoquinoline; sulfuric acid IUPAC Name: 1-(chloromethyl)-3-ethyl-3-methyl-4H-isoquinoline; sulfuric acid Traditional Name: 1-(chloromethyl)-3-ethyl-3-methyl-4H-isoquinoline; sulfuric acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C(=N1)CCl)C.OS(=O)(=O)O

Isomeric SMILES

CCC1(CC2=CC=CC=C2C(=N1)CCl)C.OS(=O)(=O)O

InChI

InChI=1S/C13H16ClN.H2O4S/c1-3-13(2)8-10-6-4-5-7-11(10)12(9-14)15-13;1-5(2,3)4/h4-7H,3,8-9H2,1-2H3;(H2,1,2,3,4)