4-butyl-2-oxidanidyl-3-pyrrolidin-1-yl-isoquinolin-2-ium

Systemtic Name: 4-butyl-2-oxidanidyl-3-pyrrolidin-1-yl-isoquinolin-2-ium Openeye Name: 4-butyl-2-oxido-3-pyrrolidin-1-yl-isoquinolin-2-ium CAS Name: 4-butyl-2-oxido-3-(1-pyrrolidinyl)isoquinolin-2-ium IUPAC Name: 4-butyl-2-oxido-3-pyrrolidin-1-ylisoquinolin-2-ium Traditional Name: 4-butyl-2-oxido-3-pyrrolidino-isoquinolin-2-ium Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+](=CC2=CC=CC=C21)[O-])N3CCCC3

Isomeric SMILES

CCCCC1=C([N+](=CC2=CC=CC=C21)[O-])N3CCCC3

InChI

InChI=1S/C17H22N2O/c1-2-3-9-16-15-10-5-4-8-14(15)13-19(20)17(16)18-11-6-7-12-18/h4-5,8,10,13H,2-3,6-7,9,11-12H2,1H3