2-(3-methylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(3-methylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(m-tolyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(3-methylphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3-methylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(m-tolyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C20H24N4S+2 MolecularWeight: 352.49636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N4S/c1-16-5-4-6-17(13-16)20-22-18(15-25-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3/p+2