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

Systemtic Name: 1-[3-(2-chloranyl-6-prop-2-enyl-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[3-(2-allyl-6-chloro-phenoxy)propyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[3-(2-allyl-6-chloro-phenoxy)propyl]-4-methyl-piperazine-1,4-diium Formula: C17H27ClN2O+2 MolecularWeight: 310.86208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCOC2=C(C=CC=C2Cl)CC=C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCOC2=C(C=CC=C2Cl)CC=C

InChI

InChI=1S/C17H25ClN2O/c1-3-6-15-7-4-8-16(18)17(15)21-14-5-9-20-12-10-19(2)11-13-20/h3-4,7-8H,1,5-6,9-14H2,2H3/p+2