N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-[4-(p-tolyl)thiazol-2-yl]acetamide CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-[4-(p-tolyl)thiazol-2-yl]acetamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H29N5O2S/c1-17-4-6-18(7-5-17)19-16-30-22(23-19)24-20(28)14-25-10-12-26(13-11-25)15-21(29)27-8-2-3-9-27/h4-7,16H,2-3,8-15H2,1H3,(H,23,24,28)/p+1