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

Systemtic Name: [2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]methanone CAS Name: [2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]methanone Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-17-21(29-22(24-17)19-8-10-20(28-2)11-9-19)23(27)26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/p+1