(3-iodanyl-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-iodanyl-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-iodo-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (3-iodo-4-methoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-iodo-4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-iodo-4-methoxy-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C13H18IN2O2+ MolecularWeight: 361.19869

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C13H17IN2O2/c1-15-5-7-16(8-6-15)13(17)10-3-4-12(18-2)11(14)9-10/h3-4,9H,5-8H2,1-2H3/p+1