2-oxidanidyl-3-(4-phenylmethoxybutyl)isoquinolin-2-ium

Systemtic Name: 2-oxidanidyl-3-(4-phenylmethoxybutyl)isoquinolin-2-ium Openeye Name: 3-(4-benzyloxybutyl)-2-oxido-isoquinolin-2-ium CAS Name: 2-oxido-3-(4-phenylmethoxybutyl)isoquinolin-2-ium IUPAC Name: 2-oxido-3-(4-phenylmethoxybutyl)isoquinolin-2-ium Traditional Name: 3-(4-benzoxybutyl)-2-oxido-isoquinolin-2-ium Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCC2=CC3=CC=CC=C3C=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCCC2=CC3=CC=CC=C3C=[N+]2[O-]

InChI

InChI=1S/C20H21NO2/c22-21-15-19-11-5-4-10-18(19)14-20(21)12-6-7-13-23-16-17-8-2-1-3-9-17/h1-5,8-11,14-15H,6-7,12-13,16H2