[(1S)-1-(4-dimethylaminophenyl)-2-[2-(3-methylphenoxy)ethanoylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-dimethylaminophenyl)-2-[2-(3-methylphenoxy)ethanoylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-dimethylaminophenyl)-2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-[[2-(3-methylphenoxy)-1-oxoethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-dimethylaminophenyl)-2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-dimethylaminophenyl)-2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]-dimethyl-ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+](C)C

InChI

InChI=1S/C21H29N3O2/c1-16-7-6-8-19(13-16)26-15-21(25)22-14-20(24(4)5)17-9-11-18(12-10-17)23(2)3/h6-13,20H,14-15H2,1-5H3,(H,22,25)/p+1/t20-/m1/s1