3-butyl-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 3-butyl-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 3-butyl-2-oxido-isoquinolin-2-ium CAS Name: 3-butyl-2-oxidoisoquinolin-2-ium IUPAC Name: 3-butyl-2-oxidoisoquinolin-2-ium Traditional Name: 3-butyl-2-oxido-isoquinolin-2-ium Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C=[N+]1[O-]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C=[N+]1[O-]

InChI

InChI=1S/C13H15NO/c1-2-3-8-13-9-11-6-4-5-7-12(11)10-14(13)15/h4-7,9-10H,2-3,8H2,1H3