6-methoxy-2-[3-(6-methoxy-1,3-benzothiazol-2-yl)-5-propan-2-yl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 6-methoxy-2-[3-(6-methoxy-1,3-benzothiazol-2-yl)-5-propan-2-yl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[3-isopropyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methoxy-1,3-benzothiazole CAS Name: 6-methoxy-2-[3-(6-methoxy-1,3-benzothiazol-2-yl)-5-propan-2-yl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole IUPAC Name: 6-methoxy-2-[3-(6-methoxy-1,3-benzothiazol-2-yl)-5-propan-2-yl-1,3,5-triazinan-5-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[3-isopropyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-3-ium-1-yl]-6-methoxy-1,3-benzothiazole Formula: C22H26N5O2S2+ MolecularWeight: 456.60414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CN(CN(C1)C2=NC3=C(S2)C=C(C=C3)OC)C4=NC5=C(S4)C=C(C=C5)OC

Isomeric SMILES

CC(C)[NH+]1CN(CN(C1)C2=NC3=C(S2)C=C(C=C3)OC)C4=NC5=C(S4)C=C(C=C5)OC

InChI

InChI=1S/C22H25N5O2S2/c1-14(2)25-11-26(21-23-17-7-5-15(28-3)9-19(17)30-21)13-27(12-25)22-24-18-8-6-16(29-4)10-20(18)31-22/h5-10,14H,11-13H2,1-4H3/p+1