4-[(4-chlorophenyl)methyl]-7-methoxy-isoquinoline; methanesulfonic acid

Systemtic Name: 4-[(4-chlorophenyl)methyl]-7-methoxy-isoquinoline; methanesulfonic acid Openeye Name: 4-[(4-chlorophenyl)methyl]-7-methoxy-isoquinoline; methanesulfonic acid CAS Name: 4-[(4-chlorophenyl)methyl]-7-methoxyisoquinoline; methanesulfonic acid IUPAC Name: 4-[(4-chlorophenyl)methyl]-7-methoxyisoquinoline; methanesulfonic acid Traditional Name: 4-(4-chlorobenzyl)-7-methoxy-isoquinoline; mesylic acid Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CN=CC(=C2C=C1)CC3=CC=C(C=C3)Cl.CS(=O)(=O)O

Isomeric SMILES

COC1=CC2=CN=CC(=C2C=C1)CC3=CC=C(C=C3)Cl.CS(=O)(=O)O

InChI

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