1-[[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole iodide

Systemtic Name: 1-[[1-(phenylmethyl)pyrrolidin-1-ium-1-yl]methyl]benzotriazole iodide Openeye Name: 1-[(1-benzylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide CAS Name: 1-[[1-(phenylmethyl)-1-pyrrolidin-1-iumyl]methyl]benzotriazole iodide IUPAC Name: 1-[(1-benzylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Traditional Name: 1-[(1-benzylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Formula: C18H21IN4 MolecularWeight: 420.29061

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3.[I-]

Isomeric SMILES

C1CC[N+](C1)(CC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3.[I-]

InChI

InChI=1S/C18H21N4.HI/c1-2-8-16(9-3-1)14-22(12-6-7-13-22)15-21-18-11-5-4-10-17(18)19-20-21;/h1-5,8-11H,6-7,12-15H2;1H/q+1;/p-1