3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-1,3-thiazol-2-one

Systemtic Name: 3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-1,3-thiazol-2-one Openeye Name: 3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-thiazol-2-one CAS Name: 3-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]ethyl]-4-methyl-2-thiazolone IUPAC Name: 3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-1,3-thiazol-2-one Traditional Name: 3-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-4-methyl-4-thiazolin-2-one Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CC[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CSC(=O)N1CC[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C16H21N3O2S/c1-13-12-22-16(21)19(13)11-8-17-6-9-18(10-7-17)14-4-2-3-5-15(14)20/h2-5,12,20H,6-11H2,1H3/p+1