[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofuranyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[[(4-methylthiazol-2-yl)thio]methyl]benzofuran-2-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H23N4O2S2+ MolecularWeight: 451.58432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H22N4O2S2/c1-16-14-30-23(25-16)31-15-18-17-6-2-3-7-19(17)29-21(18)22(28)27-12-10-26(11-13-27)20-8-4-5-9-24-20/h2-9,14H,10-13,15H2,1H3/p+1