2-[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[2-(4-ethylphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C22H26N3OS+ MolecularWeight: 380.52634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H25N3OS/c1-2-17-7-9-18(10-8-17)22-23-19(16-27-22)15-24-11-13-25(14-12-24)20-5-3-4-6-21(20)26/h3-10,16,26H,2,11-15H2,1H3/p+1