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

Systemtic Name: 2-(4-methoxyphenyl)-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-methoxyphenyl)-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(4-methoxyphenyl)-4-[[4-(1-pyrrolidinylsulfonyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-methoxyphenyl)-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(4-methoxyphenyl)-4-[(4-pyrrolidinosulfonylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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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)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H26N4O3S2/c1-26-18-6-4-16(5-7-18)19-20-17(15-27-19)14-21-10-12-23(13-11-21)28(24,25)22-8-2-3-9-22/h4-7,15H,2-3,8-14H2,1H3/p+1