4-[(4-chlorophenyl)methyl]-8-methoxy-isoquinolin-2-ium; methanesulfonate

Systemtic Name: 4-[(4-chlorophenyl)methyl]-8-methoxy-isoquinolin-2-ium; methanesulfonate Openeye Name: 4-[(4-chlorophenyl)methyl]-8-methoxy-isoquinolin-2-ium; methanesulfonate CAS Name: 4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium; methanesulfonate IUPAC Name: 4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium; methanesulfonate Traditional Name: 4-(4-chlorobenzyl)-8-methoxy-isoquinolin-2-ium mesylate Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C(C=[NH+]C=C21)CC3=CC=C(C=C3)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC2=C(C=[NH+]C=C21)CC3=CC=C(C=C3)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H14ClNO.CH4O3S/c1-20-17-4-2-3-15-13(10-19-11-16(15)17)9-12-5-7-14(18)8-6-12;1-5(2,3)4/h2-8,10-11H,9H2,1H3;1H3,(H,2,3,4)