1-[4-(2-chloranyl-6-prop-2-enyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[4-(2-chloranyl-6-prop-2-enyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(2-allyl-6-chloro-phenoxy)butyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(2-chloro-6-prop-2-enylphenoxy)butyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(2-chloro-6-prop-2-enylphenoxy)butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(2-allyl-6-chloro-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Formula: C18H29ClN2O+2 MolecularWeight: 324.88866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=C(C=CC=C2Cl)CC=C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=C(C=CC=C2Cl)CC=C

InChI

InChI=1S/C18H27ClN2O/c1-3-7-16-8-6-9-17(19)18(16)22-15-5-4-10-21-13-11-20(2)12-14-21/h3,6,8-9H,1,4-5,7,10-15H2,2H3/p+2