N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-thiazole-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-phenyl-4-thiazolecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-thiazole-4-carboxamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-2-25-12-14-26(15-13-25)19-10-8-18(9-11-19)23-21(27)20-16-28-22(24-20)17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3,(H,23,27)/p+1