1-[(1-phenethylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide

Systemtic Name: 1-[(1-phenethylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Openeye Name: 1-[(1-phenethylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide CAS Name: 1-[(1-phenethyl-1-pyrrolidin-1-iumyl)methyl]benzotriazole iodide IUPAC Name: 1-[(1-phenethylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Traditional Name: 1-[(1-phenethylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Formula: C19H23IN4 MolecularWeight: 434.31719

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3.[I-]

Isomeric SMILES

C1CC[N+](C1)(CCC2=CC=CC=C2)CN3C4=CC=CC=C4N=N3.[I-]

InChI

InChI=1S/C19H23N4.HI/c1-2-8-17(9-3-1)12-15-23(13-6-7-14-23)16-22-19-11-5-4-10-18(19)20-21-22;/h1-5,8-11H,6-7,12-16H2;1H/q+1;/p-1