2-[4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C25H31N6O2S+ MolecularWeight: 479.61764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O2S/c1-18-7-6-8-19(2)24(18)28-22(32)16-29-11-13-30(14-12-29)23(33)17-34-25-27-21(15-31(25)26)20-9-4-3-5-10-20/h3-10,15H,11-14,16-17,26H2,1-2H3,(H,28,32)/p+1