N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-2-(3-thienyl)thiazole-4-carboxamide CAS Name: N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-2-(3-thiophenyl)-4-thiazolecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-methyl-2-(3-thienyl)thiazole-4-carboxamide Formula: C22H25N4O2S2+ MolecularWeight: 441.5895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C22H24N4O2S2/c1-24(22(28)19-16-30-21(23-19)18-7-12-29-15-18)14-20(27)26-10-8-25(9-11-26)13-17-5-3-2-4-6-17/h2-7,12,15-16H,8-11,13-14H2,1H3/p+1