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

Systemtic Name: [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-27-20-9-7-17(8-10-20)21-23-19(16-28-21)15-24-11-13-25(14-12-24)22(26)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3/p+1