2-(4-propan-2-ylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-propan-2-ylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-isopropylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(4-propan-2-ylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-propan-2-ylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-p-cumenyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C21H26N5S+ MolecularWeight: 380.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5S/c1-16(2)17-4-6-18(7-5-17)20-24-19(15-27-20)14-25-10-12-26(13-11-25)21-22-8-3-9-23-21/h3-9,15-16H,10-14H2,1-2H3/p+1