(1S)-N-butyl-1-[4-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]-N-methyl-ethane-1,2-diamine

Systemtic Name: (1S)-N-butyl-1-[4-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]-N-methyl-ethane-1,2-diamine Openeye Name: (1S)-N-butyl-1-[4-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]-N-methyl-ethane-1,2-diamine CAS Name: (1S)-N-butyl-1-[4-(2-dimethylaminoethyloxy)-3-methoxyphenyl]-N-methylethane-1,2-diamine IUPAC Name: (1S)-N-butyl-1-[4-(2-dimethylaminoethyloxy)-3-methoxyphenyl]-N-methylethane-1,2-diamine Traditional Name: 2-[4-[(1S)-2-amino-1-[butyl(methyl)amino]ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-amine Formula: C18H33N3O2 MolecularWeight: 323.47352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O2/c1-6-7-10-21(4)16(14-19)15-8-9-17(18(13-15)22-5)23-12-11-20(2)3/h8-9,13,16H,6-7,10-12,14,19H2,1-5H3/t16-/m1/s1