2-oxidanidyl-1-(4-phenylmethoxybutyl)isoquinolin-2-ium

Systemtic Name: 2-oxidanidyl-1-(4-phenylmethoxybutyl)isoquinolin-2-ium Openeye Name: 1-(4-benzyloxybutyl)-2-oxido-isoquinolin-2-ium CAS Name: 2-oxido-1-(4-phenylmethoxybutyl)isoquinolin-2-ium IUPAC Name: 2-oxido-1-(4-phenylmethoxybutyl)isoquinolin-2-ium Traditional Name: 1-(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=[N+](C=CC3=CC=CC=C32)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCCC2=[N+](C=CC3=CC=CC=C32)[O-]

InChI

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