N-[2-(4-aminophenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[2-(4-aminophenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[2-(4-aminophenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[2-(4-aminophenyl)ethyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[2-(4-aminophenyl)ethyl]-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-[2-(4-aminophenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C15H18IN3O MolecularWeight: 383.22739

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCC2=CC=C(C=C2)N.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCC2=CC=C(C=C2)N.[I-]

InChI

InChI=1S/C15H17N3O.HI/c1-18-10-2-3-13(11-18)15(19)17-9-8-12-4-6-14(16)7-5-12;/h2-7,10-11H,8-9,16H2,1H3;1H