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

Systemtic Name: (3,4-dimethylphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3OS/c1-17-8-9-20(14-18(17)2)23(27)26-12-10-25(11-13-26)15-21-16-28-22(24-21)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3/p+1