1-[3-(4-iodanyl-2-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[3-(4-iodanyl-2-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[3-(4-iodo-2-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[3-(4-iodo-2-methylphenoxy)propyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[3-(4-iodo-2-methylphenoxy)propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[3-(4-iodo-2-methyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C15H25IN2O+2 MolecularWeight: 376.27627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)OCCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)OCCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C15H23IN2O/c1-13-12-14(16)4-5-15(13)19-11-3-6-18-9-7-17(2)8-10-18/h4-5,12H,3,6-11H2,1-2H3/p+2