N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(3-methylphenyl)ethanediamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(3-methylphenyl)ethanediamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(m-tolyl)oxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-N'-(3-methylphenyl)oxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-N'-(3-methylphenyl)oxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N'-(m-tolyl)oxamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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