4-butyl-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 4-butyl-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 4-butyl-2-oxido-isoquinolin-2-ium CAS Name: 4-butyl-2-oxidoisoquinolin-2-ium IUPAC Name: 4-butyl-2-oxidoisoquinolin-2-ium Traditional Name: 4-butyl-2-oxido-isoquinolin-2-ium Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+](=CC2=CC=CC=C21)[O-]

Isomeric SMILES

CCCCC1=C[N+](=CC2=CC=CC=C21)[O-]

InChI

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