1-chloranyl-7-methoxy-3-methyl-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 1-chloranyl-7-methoxy-3-methyl-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 1-chloro-7-methoxy-3-methyl-2-oxido-isoquinolin-2-ium CAS Name: 1-chloro-7-methoxy-3-methyl-2-oxidoisoquinolin-2-ium IUPAC Name: 1-chloro-7-methoxy-3-methyl-2-oxidoisoquinolin-2-ium Traditional Name: 1-chloro-7-methoxy-3-methyl-2-oxido-isoquinolin-2-ium Formula: C11H10ClNO2 MolecularWeight: 223.6556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C2C=C(C=CC2=C1)OC)Cl)[O-]

Isomeric SMILES

CC1=[N+](C(=C2C=C(C=CC2=C1)OC)Cl)[O-]

InChI

InChI=1S/C11H10ClNO2/c1-7-5-8-3-4-9(15-2)6-10(8)11(12)13(7)14/h3-6H,1-2H3