(1S)-N-butyl-1-[3-[3-(dimethylamino)propoxy]phenyl]-N-methyl-ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-1-[3-[3-(dimethylamino)propoxy]phenyl]-N-methyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-[3-[3-(dimethylamino)propoxy]phenyl]-N-methyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-[3-[3-(dimethylamino)propoxy]phenyl]-N-methylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-[3-[3-(dimethylamino)propoxy]phenyl]-N-methylethane-1,2-diamine Traditional Name: 3-[3-[(1S)-2-amino-1-[butyl(methyl)amino]ethyl]phenoxy]propyl-dimethyl-amine Formula: C18H33N3O MolecularWeight: 307.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(CN)C1=CC(=CC=C1)OCCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O/c1-5-6-12-21(4)18(15-19)16-9-7-10-17(14-16)22-13-8-11-20(2)3/h7,9-10,14,18H,5-6,8,11-13,15,19H2,1-4H3/t18-/m1/s1