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

Systemtic Name: N-(4-methylphenyl)-2-[4-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[1-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H32N4O2S+2 MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C23H30N4O2S/c1-18-6-8-19(9-7-18)24-22(28)16-25-11-13-26(14-12-25)23(29)17-27-10-2-4-20(27)21-5-3-15-30-21/h3,5-9,15,20H,2,4,10-14,16-17H2,1H3,(H,24,28)/p+2/t20-/m1/s1