2-methyl-4-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophen-2-yl]-1,3-thiazole

Systemtic Name: 2-methyl-4-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophen-2-yl]-1,3-thiazole Openeye Name: 4-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]-2-methyl-thiazole CAS Name: 2-methyl-4-[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenyl]thiazole IUPAC Name: 4-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole Traditional Name: 4-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]-2-methyl-thiazole Formula: C19H22N3O2S3+ MolecularWeight: 420.59188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2S3/c1-15-20-17(14-25-15)18-7-8-19(26-18)27(23,24)22-11-9-21(10-12-22)13-16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3/p+1