2-methyl-4-[[4-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-methyl-4-[[4-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-methyl-4-[[4-[5-(1-naphthyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-methyl-4-[[4-[5-(1-naphthalenyl)-1,2,4-triazin-3-yl]-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-methyl-4-[[4-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-methyl-4-[[4-[5-(1-naphthyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]methyl]thiazole Formula: C22H23N6S+ MolecularWeight: 403.52322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=NC(=CN=N3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=NC(=CN=N3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H22N6S/c1-16-24-18(15-29-16)14-27-9-11-28(12-10-27)22-25-21(13-23-26-22)20-8-4-6-17-5-2-3-7-19(17)20/h2-8,13,15H,9-12,14H2,1H3/p+1