N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-benzylthiazol-2-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[5-(phenylmethyl)-2-thiazolyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-benzylthiazol-2-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5OS/c27-20(16-25-10-12-26(13-11-25)19-8-4-5-9-22-19)24-21-23-15-18(28-21)14-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2,(H,23,24,27)/p+1