N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(2-methylphenyl)ethanediamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(2-methylphenyl)ethanediamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(o-tolyl)oxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N'-(2-methylphenyl)oxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-N'-(2-methylphenyl)oxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N'-(o-tolyl)oxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C23H30N4O2/c1-17-8-4-5-9-20(17)25-23(29)22(28)24-16-21(27-14-6-7-15-27)18-10-12-19(13-11-18)26(2)3/h4-5,8-13,21H,6-7,14-16H2,1-3H3,(H,24,28)(H,25,29)/p+1/t21-/m1/s1