N'-(4-butylphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanediamide

Systemtic Name: N'-(4-butylphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanediamide Openeye Name: N'-(4-butylphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]oxamide CAS Name: N'-(4-butylphenyl)-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(4-butylphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]oxamide Traditional Name: N'-(4-butylphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]oxamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCC2CCC[NH+]2CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NC[C@@H]2CCC[NH+]2CC

InChI

InChI=1S/C19H29N3O2/c1-3-5-7-15-9-11-16(12-10-15)21-19(24)18(23)20-14-17-8-6-13-22(17)4-2/h9-12,17H,3-8,13-14H2,1-2H3,(H,20,23)(H,21,24)/p+1/t17-/m0/s1