[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-4-ium-1-yl]-(2-phenylthiazol-4-yl)methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2-phenyl-4-thiazolyl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-(2-phenylthiazol-4-yl)methanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-17-7-5-6-10-19(17)15-24-11-13-25(14-12-24)22(26)20-16-27-21(23-20)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3/p+1