2-(3-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(3-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(3-methoxyphenyl)-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(3-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3-methoxyphenyl)-4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(3-methoxyphenyl)-4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]thiazole Formula: C23H26N3O3S2+ MolecularWeight: 456.60084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S2/c1-29-22-9-5-8-20(16-22)23-24-21(18-30-23)17-25-11-13-26(14-12-25)31(27,28)15-10-19-6-3-2-4-7-19/h2-10,15-16,18H,11-14,17H2,1H3/p+1/b15-10+