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

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)-5-propyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-5-propyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-5-propyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-5-propyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-5-propyl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Formula: C20H22N5S2+ MolecularWeight: 396.55218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5S2/c1-2-11-23-12-24(19-21-15-7-3-5-9-17(15)26-19)14-25(13-23)20-22-16-8-4-6-10-18(16)27-20/h3-10H,2,11-14H2,1H3/p+1