1-[3-(2-chloranyl-3,6-dimethyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[3-(2-chloranyl-3,6-dimethyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[3-(2-chloro-3,6-dimethyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[3-(2-chloro-3,6-dimethylphenoxy)propyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[3-(2-chloro-3,6-dimethylphenoxy)propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[3-(2-chloro-3,6-dimethyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O/c1-13-5-6-14(2)16(15(13)17)20-12-4-7-19-10-8-18(3)9-11-19/h5-6H,4,7-12H2,1-3H3/p+2