N-[3,5-bis(chloranyl)phenyl]-4-methyl-4-prop-2-enyl-piperazin-4-ium-1-carboxamide iodide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-methyl-4-prop-2-enyl-piperazin-4-ium-1-carboxamide iodide Openeye Name: 4-allyl-N-(3,5-dichlorophenyl)-4-methyl-piperazin-4-ium-1-carboxamide iodide CAS Name: N-(3,5-dichlorophenyl)-4-methyl-4-prop-2-enyl-1-piperazin-4-iumcarboxamide iodide IUPAC Name: N-(3,5-dichlorophenyl)-4-methyl-4-prop-2-enylpiperazin-4-ium-1-carboxamide iodide Traditional Name: 4-allyl-N-(3,5-dichlorophenyl)-4-methyl-piperazin-4-ium-1-carboxamide iodide Formula: C15H20Cl2IN3O MolecularWeight: 456.14927

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CC=C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)CC=C.[I-]

InChI

InChI=1S/C15H19Cl2N3O.HI/c1-3-6-20(2)7-4-19(5-8-20)15(21)18-14-10-12(16)9-13(17)11-14;/h3,9-11H,1,4-8H2,2H3;1H