(1S)-N-butyl-1-[5-chloranyl-2-(2-dimethylaminoethyloxy)phenyl]-N-methyl-ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-1-[5-chloranyl-2-(2-dimethylaminoethyloxy)phenyl]-N-methyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-[5-chloro-2-(2-dimethylaminoethyloxy)phenyl]-N-methyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-[5-chloro-2-(2-dimethylaminoethyloxy)phenyl]-N-methylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-[5-chloro-2-(2-dimethylaminoethyloxy)phenyl]-N-methylethane-1,2-diamine Traditional Name: 2-[2-[(1S)-2-amino-1-[butyl(methyl)amino]ethyl]-4-chloro-phenoxy]ethyl-dimethyl-amine Formula: C17H30ClN3O MolecularWeight: 327.8926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(CN)C1=C(C=CC(=C1)Cl)OCCN(C)C

Isomeric SMILES

CCCCN(C)[C@H](CN)C1=C(C=CC(=C1)Cl)OCCN(C)C

InChI

InChI=1S/C17H30ClN3O/c1-5-6-9-21(4)16(13-19)15-12-14(18)7-8-17(15)22-11-10-20(2)3/h7-8,12,16H,5-6,9-11,13,19H2,1-4H3/t16-/m1/s1