N-(2-ethylphenyl)-2-[4-[4-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[4-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[4-(thiazol-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[4-(4-thiazolylmethoxy)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[4-(thiazol-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H29N4O3S+ MolecularWeight: 465.58776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CSC=N4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CSC=N4

InChI

InChI=1S/C25H28N4O3S/c1-2-19-5-3-4-6-23(19)27-24(30)15-28-11-13-29(14-12-28)25(31)20-7-9-22(10-8-20)32-16-21-17-33-18-26-21/h3-10,17-18H,2,11-16H2,1H3,(H,27,30)/p+1