4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-isoquinoline; methanesulfonic acid

Systemtic Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-isoquinoline; methanesulfonic acid Openeye Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-isoquinoline; methanesulfonic acid CAS Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinoline; methanesulfonic acid IUPAC Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinoline; methanesulfonic acid Traditional Name: 4-(4-chlorobenzyl)-6,7-dimethoxy-isoquinoline; mesylic acid Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NC=C2CC3=CC=C(C=C3)Cl)OC.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NC=C2CC3=CC=C(C=C3)Cl)OC.CS(=O)(=O)O

InChI

InChI=1S/C18H16ClNO2.CH4O3S/c1-21-17-8-14-11-20-10-13(16(14)9-18(17)22-2)7-12-3-5-15(19)6-4-12;1-5(2,3)4/h3-6,8-11H,7H2,1-2H3;1H3,(H,2,3,4)