(2R)-2-phenyl-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: (2R)-2-phenyl-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-phenyl-N-thiazol-2-yl-acetamide CAS Name: (2R)-2-phenyl-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide Traditional Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-phenyl-N-thiazol-2-yl-acetamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)NC3=NC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)NC3=NC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-21(24-22-23-11-16-28-22)20(19-9-5-2-6-10-19)26-14-12-25(13-15-26)17-18-7-3-1-4-8-18/h1-11,16,20H,12-15,17H2,(H,23,24,27)/p+1/t20-/m1/s1