2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(nitromethyl)ethanamine

Systemtic Name: 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(nitromethyl)ethanamine Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]-N-methyl-N-(nitromethyl)ethanamine CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]-N-methyl-N-(nitromethyl)ethanamine IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(nitromethyl)ethanamine Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-(nitromethyl)amine Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-3-4-8-15-12-14-7-5-6-9-16(14)17(18-15)23-11-10-19(2)13-20(21)22/h5-7,9,12H,3-4,8,10-11,13H2,1-2H3