N-(2-ethylphenyl)-2-[4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H34N4O2S+2 MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C24H32N4O2S/c1-2-19-7-3-4-8-20(19)25-23(29)17-26-12-14-27(15-13-26)24(30)18-28-11-5-9-21(28)22-10-6-16-31-22/h3-4,6-8,10,16,21H,2,5,9,11-15,17-18H2,1H3,(H,25,29)/p+2/t21-/m0/s1