(4-ethyl-2-phenyl-1,3-thiazol-5-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (4-ethyl-2-phenyl-1,3-thiazol-5-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (4-ethyl-2-phenyl-thiazol-5-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (4-ethyl-2-phenyl-5-thiazolyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (4-ethyl-2-phenyl-1,3-thiazol-5-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (4-ethyl-2-phenyl-thiazol-5-yl)-piperazin-4-ium-1-yl-methanone Formula: C16H20N3OS+ MolecularWeight: 302.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H19N3OS/c1-2-13-14(16(20)19-10-8-17-9-11-19)21-15(18-13)12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3/p+1