2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Formula: C21H24N5S2+ MolecularWeight: 410.57876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CN(CN(C1)C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCC[NH+]1CN(CN(C1)C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H23N5S2/c1-2-3-12-24-13-25(20-22-16-8-4-6-10-18(16)27-20)15-26(14-24)21-23-17-9-5-7-11-19(17)28-21/h4-11H,2-3,12-15H2,1H3/p+1