1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole chloride

Systemtic Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole chloride Openeye Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole chloride CAS Name: 1-[[1-(1-benzotriazolylmethyl)-1-pyrrolidin-1-iumyl]methyl]benzotriazole chloride IUPAC Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole chloride Traditional Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole chloride Formula: C18H20ClN7 MolecularWeight: 369.8513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4.[Cl-]

Isomeric SMILES

C1CC[N+](C1)(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4.[Cl-]

InChI

InChI=1S/C18H20N7.ClH/c1-3-9-17-15(7-1)19-21-23(17)13-25(11-5-6-12-25)14-24-18-10-4-2-8-16(18)20-22-24;/h1-4,7-10H,5-6,11-14H2;1H/q+1;/p-1