1-[5-(2-chloranyl-4,6-dimethyl-phenoxy)pentyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[5-(2-chloranyl-4,6-dimethyl-phenoxy)pentyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[5-(2-chloro-4,6-dimethyl-phenoxy)pentyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[5-(2-chloro-4,6-dimethylphenoxy)pentyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[5-(2-chloro-4,6-dimethylphenoxy)pentyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[5-(2-chloro-4,6-dimethyl-phenoxy)pentyl]-4-methyl-piperazine-1,4-diium Formula: C18H31ClN2O+2 MolecularWeight: 326.90454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O/c1-15-13-16(2)18(17(19)14-15)22-12-6-4-5-7-21-10-8-20(3)9-11-21/h13-14H,4-12H2,1-3H3/p+2