3-butyl-1-methyl-2-oxidanidyl-isoquinolin-2-ium

Systemtic Name: 3-butyl-1-methyl-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 3-butyl-1-methyl-2-oxido-isoquinolin-2-ium CAS Name: 3-butyl-1-methyl-2-oxidoisoquinolin-2-ium IUPAC Name: 3-butyl-1-methyl-2-oxidoisoquinolin-2-ium Traditional Name: 3-butyl-1-methyl-2-oxido-isoquinolin-2-ium Formula: C14H17NO MolecularWeight: 215.29088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO/c1-3-4-8-13-10-12-7-5-6-9-14(12)11(2)15(13)16/h5-7,9-10H,3-4,8H2,1-2H3