2-[3-(furan-2-ylmethyl)-5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methyl-1,3-benzothiazole

Systemtic Name: 2-[3-(furan-2-ylmethyl)-5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methyl-1,3-benzothiazole Openeye Name: 2-[3-(2-furylmethyl)-5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methyl-1,3-benzothiazole CAS Name: 2-[3-(2-furanylmethyl)-5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methyl-1,3-benzothiazole IUPAC Name: 2-[3-(furan-2-ylmethyl)-5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methyl-1,3-benzothiazole Traditional Name: 2-[3-(2-furfuryl)-5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methyl-1,3-benzothiazole Formula: C24H24N5OS2+ MolecularWeight: 462.61026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C[NH+](CN(C3)C4=NC5=C(S4)C=C(C=C5)C)CC6=CC=CO6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C[NH+](CN(C3)C4=NC5=C(S4)C=C(C=C5)C)CC6=CC=CO6

InChI

InChI=1S/C24H23N5OS2/c1-16-5-7-19-21(10-16)31-23(25-19)28-13-27(12-18-4-3-9-30-18)14-29(15-28)24-26-20-8-6-17(2)11-22(20)32-24/h3-11H,12-15H2,1-2H3/p+1