2-[(2-chlorophenyl)methyl]-3,4-dihydroisoquinolin-2-ium; hydrogen sulfate

Systemtic Name: 2-[(2-chlorophenyl)methyl]-3,4-dihydroisoquinolin-2-ium; hydrogen sulfate Openeye Name: 2-[(2-chlorophenyl)methyl]-3,4-dihydroisoquinolin-2-ium; hydrogen sulfate CAS Name: 2-[(2-chlorophenyl)methyl]-3,4-dihydroisoquinolin-2-ium; hydrogen sulfate IUPAC Name: 2-[(2-chlorophenyl)methyl]-3,4-dihydroisoquinolin-2-ium; hydrogen sulfate Traditional Name: 2-(2-chlorobenzyl)-3,4-dihydroisoquinolin-2-ium bisulfate Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=CC2=CC=CC=C21)CC3=CC=CC=C3Cl.OS(=O)(=O)[O-]

Isomeric SMILES

C1C[N+](=CC2=CC=CC=C21)CC3=CC=CC=C3Cl.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H15ClN.H2O4S/c17-16-8-4-3-7-15(16)12-18-10-9-13-5-1-2-6-14(13)11-18;1-5(2,3)4/h1-8,11H,9-10,12H2;(H2,1,2,3,4)/q+1;/p-1