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

Systemtic Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[1-(1-benzotriazolylmethyl)-1-pyrrolidin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[1-(benzotriazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole Formula: C18H20N7+ MolecularWeight: 334.3983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N7/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/q+1