1-[(8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 1-[(8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 1-[(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-2-oxido-isoquinolin-2-ium CAS Name: 1-[(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-2-oxidoisoquinolin-2-ium IUPAC Name: 1-[(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-2-oxidoisoquinolin-2-ium Traditional Name: 1-[(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-2-oxido-isoquinolin-2-ium Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC3=[N+](C=CC4=CC=CC=C43)[O-])[O-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC3=[N+](C=CC4=CC=CC=C43)[O-])[O-]

InChI

InChI=1S/C17H20N2O3/c1-19(21)13-6-7-14(19)11-15(10-13)22-17-16-5-3-2-4-12(16)8-9-18(17)20/h2-5,8-9,13-15H,6-7,10-11H2,1H3