N-[bis(chloranyl)methyl]-2-(3-butylisoquinolin-1-yl)oxy-N-methyl-ethanamine

Systemtic Name: N-[bis(chloranyl)methyl]-2-(3-butylisoquinolin-1-yl)oxy-N-methyl-ethanamine Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]-N-(dichloromethyl)-N-methyl-ethanamine CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]-N-(dichloromethyl)-N-methylethanamine IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxy-N-(dichloromethyl)-N-methylethanamine Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-(dichloromethyl)-methyl-amine Formula: C17H22Cl2N2O MolecularWeight: 341.27538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C(Cl)Cl

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C(Cl)Cl

InChI

InChI=1S/C17H22Cl2N2O/c1-3-4-8-14-12-13-7-5-6-9-15(13)16(20-14)22-11-10-21(2)17(18)19/h5-7,9,12,17H,3-4,8,10-11H2,1-2H3