2-(4-methoxyphenyl)-4-[(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-methoxyphenyl)-4-[(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-methoxyphenyl)-4-[[4-(1-piperidylsulfonyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-methoxyphenyl)-4-[[4-(1-piperidinylsulfonyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-methoxyphenyl)-4-[(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(4-methoxyphenyl)-4-[(4-piperidinosulfonylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C20H29N4O3S2+ MolecularWeight: 437.59926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H28N4O3S2/c1-27-19-7-5-17(6-8-19)20-21-18(16-28-20)15-22-11-13-24(14-12-22)29(25,26)23-9-3-2-4-10-23/h5-8,16H,2-4,9-15H2,1H3/p+1