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

Systemtic Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H25N5O2S+2 MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O2S/c1-28-17-7-5-16(6-8-17)18-15-29-21(23-18)24-20(27)14-25-10-12-26(13-11-25)19-4-2-3-9-22-19/h2-9,15H,10-14H2,1H3,(H,23,24,27)/p+2