1-[4-(4-chloranyl-2-methyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[4-(4-chloranyl-2-methyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-(4-chloro-2-methyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-(4-chloro-2-methylphenoxy)butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-(4-chloro-2-methylphenoxy)butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(4-chloro-2-methyl-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C17H29ClN2O+2 MolecularWeight: 312.87796

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C17H27ClN2O/c1-3-19-9-11-20(12-10-19)8-4-5-13-21-17-7-6-16(18)14-15(17)2/h6-7,14H,3-5,8-13H2,1-2H3/p+2