(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-2-phenyl-thiazol-5-yl)methanone CAS Name: (4-methyl-2-phenyl-5-thiazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-2-phenyl-thiazol-5-yl)methanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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