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

Systemtic Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]oxamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

InChI

InChI=1S/C20H32N4O2/c1-20(2,3)22-19(26)18(25)21-14-17(24-12-6-7-13-24)15-8-10-16(11-9-15)23(4)5/h8-11,17H,6-7,12-14H2,1-5H3,(H,21,25)(H,22,26)/p+1/t17-/m1/s1