N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-(4-methylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-(4-methylphenoxy)acetamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C24H34N4O2/c1-19-5-11-22(12-6-19)30-18-24(29)25-17-23(28-15-13-27(4)14-16-28)20-7-9-21(10-8-20)26(2)3/h5-12,23H,13-18H2,1-4H3,(H,25,29)/p+1/t23-/m1/s1