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methanesulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

methanesulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name:methanesulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Openeye Name:methanesulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Name:methanesulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
IUPAC Name:methanesulfonate; 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Traditional Name:1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate mesylate
Formula: C17H17NO5S-2
MolecularWeight: 347.38558
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-]


Isomeric SMILES

CS(=O)(=O)[O-].C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)[O-]


InChI

InChI=1S/C16H15NO2.CH4O3S/c18-16(19)17-11-10-12-6-4-5-9-14(12)15(17)13-7-2-1-3-8-13;1-5(2,3)4/h1-9,15H,10-11H2,(H,18,19);1H3,(H,2,3,4)/p-2


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