4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxido-isoquinolin-2-ium CAS Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidoisoquinolin-2-ium IUPAC Name: 4-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidoisoquinolin-2-ium Traditional Name: 4-(chloromethyl)-6,7-dimethoxy-2-oxido-1-veratryl-isoquinolin-2-ium Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](C=C(C3=CC(=C(C=C32)OC)OC)CCl)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=C(C3=CC(=C(C=C32)OC)OC)CCl)[O-])OC

InChI

InChI=1S/C21H22ClNO5/c1-25-18-6-5-13(8-19(18)26-2)7-17-16-10-21(28-4)20(27-3)9-15(16)14(11-22)12-23(17)24/h5-6,8-10,12H,7,11H2,1-4H3