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

Systemtic Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-ethanediamide Openeye Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-oxamide CAS Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-N-methyloxamide IUPAC Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-N-methyloxamide Traditional Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-oxamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O2/c1-18-16(22)17(23)19-12-15(21-10-4-5-11-21)13-6-8-14(9-7-13)20(2)3/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,22)(H,19,23)/p+1/t15-/m1/s1