2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

InChI

InChI=1S/C24H27N5O2S/c1-27-14-15-29(21(16-27)18-6-4-3-5-7-18)23(31)19-8-10-20(11-9-19)26-22(30)17-32-24-25-12-13-28(24)2/h3-13,21H,14-17H2,1-2H3,(H,26,30)/p+1/t21-/m0/s1