2-[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(2-chlorophenyl)-4-thiazolyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H26ClN4OS+ MolecularWeight: 405.96464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H25ClN4OS/c21-18-6-2-1-5-17(18)20-22-16(15-27-20)13-23-9-11-24(12-10-23)14-19(26)25-7-3-4-8-25/h1-2,5-6,15H,3-4,7-14H2/p+1