N-(2,3-dimethylphenyl)-2-[4-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-[(2R)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(2R)-1-(2-thenoyl)prolyl]piperazin-1-ium-1-yl]acetamide Formula: C24H31N4O3S+ MolecularWeight: 455.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCN3C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN3C(=O)C4=CC=CS4)C

InChI

InChI=1S/C24H30N4O3S/c1-17-6-3-7-19(18(17)2)25-22(29)16-26-11-13-27(14-12-26)23(30)20-8-4-10-28(20)24(31)21-9-5-15-32-21/h3,5-7,9,15,20H,4,8,10-14,16H2,1-2H3,(H,25,29)/p+1/t20-/m1/s1