2-[1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C23H24N3OS2+ MolecularWeight: 422.58616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3OS2/c1-27-19-8-6-16(7-9-19)22-24-18(15-28-22)14-26-12-10-17(11-13-26)23-25-20-4-2-3-5-21(20)29-23/h2-9,15,17H,10-14H2,1H3/p+1