1-methyl-4-(2-pyrrol-1-ylethyl)pyridin-1-ium iodide

Systemtic Name: 1-methyl-4-(2-pyrrol-1-ylethyl)pyridin-1-ium iodide Openeye Name: 1-methyl-4-(2-pyrrol-1-ylethyl)pyridin-1-ium iodide CAS Name: 1-methyl-4-[2-(1-pyrrolyl)ethyl]pyridin-1-ium iodide IUPAC Name: 1-methyl-4-(2-pyrrol-1-ylethyl)pyridin-1-ium iodide Traditional Name: 1-methyl-4-(2-pyrrol-1-ylethyl)pyridin-1-ium iodide Formula: C12H15IN2 MolecularWeight: 314.16537

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCN2C=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCN2C=CC=C2.[I-]

InChI

InChI=1S/C12H15N2.HI/c1-13-9-4-12(5-10-13)6-11-14-7-2-3-8-14;/h2-5,7-10H,6,11H2,1H3;1H/q+1;/p-1