N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(4-methylphenyl)ethanediamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(4-methylphenyl)ethanediamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(p-tolyl)oxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-N'-(4-methylphenyl)oxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-N'-(4-methylphenyl)oxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(p-tolyl)oxamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C23H30N4O3/c1-17-4-8-19(9-5-17)25-23(29)22(28)24-16-21(27-12-14-30-15-13-27)18-6-10-20(11-7-18)26(2)3/h4-11,21H,12-16H2,1-3H3,(H,24,28)(H,25,29)/p+1/t21-/m1/s1