(2S)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]-N,2-diphenyl-ethanamide

Systemtic Name: (2S)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]-N,2-diphenyl-ethanamide Openeye Name: (2S)-2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]-N,2-diphenyl-acetamide CAS Name: (2S)-2-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]-N,2-diphenylacetamide IUPAC Name: (2S)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]-N,2-diphenylacetamide Traditional Name: (2S)-2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]-N,2-diphenyl-acetamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)CN2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-18-24-21(17-29-18)16-26-12-14-27(15-13-26)22(19-8-4-2-5-9-19)23(28)25-20-10-6-3-7-11-20/h2-11,17,22H,12-16H2,1H3,(H,25,28)/p+1/t22-/m0/s1