1-[4-(4-iodanyl-2-methyl-phenoxy)butyl]-4-methyl-piperazin-1-ium

Systemtic Name: 1-[4-(4-iodanyl-2-methyl-phenoxy)butyl]-4-methyl-piperazin-1-ium Openeye Name: 1-[4-(4-iodo-2-methyl-phenoxy)butyl]-4-methyl-piperazin-1-ium CAS Name: 1-[4-(4-iodo-2-methylphenoxy)butyl]-4-methylpiperazin-1-ium IUPAC Name: 1-[4-(4-iodo-2-methylphenoxy)butyl]-4-methylpiperazin-1-ium Traditional Name: 1-[4-(4-iodo-2-methyl-phenoxy)butyl]-4-methyl-piperazin-1-ium Formula: C16H26IN2O+ MolecularWeight: 389.29491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25IN2O/c1-14-13-15(17)5-6-16(14)20-12-4-3-7-19-10-8-18(2)9-11-19/h5-6,13H,3-4,7-12H2,1-2H3/p+1