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

Systemtic Name: 1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Openeye Name: 1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide CAS Name: 1-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]benzotriazole iodide IUPAC Name: 1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Traditional Name: 1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzotriazole iodide Formula: C12H17IN4 MolecularWeight: 344.19465

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CN2C3=CC=CC=C3N=N2.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CN2C3=CC=CC=C3N=N2.[I-]

InChI

InChI=1S/C12H17N4.HI/c1-16(8-4-5-9-16)10-15-12-7-3-2-6-11(12)13-14-15;/h2-3,6-7H,4-5,8-10H2,1H3;1H/q+1;/p-1