2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-1-(p-tolyl)ethanone CAS Name: 2-[4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]-1-(p-tolyl)ethanone Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC

InChI

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