1-[3-(2-chloranyl-6-prop-2-enyl-phenoxy)propyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[3-(2-chloranyl-6-prop-2-enyl-phenoxy)propyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[3-(2-allyl-6-chloro-phenoxy)propyl]-4-methyl-piperazin-4-ium CAS Name: 1-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]-4-methylpiperazin-4-ium Traditional Name: 1-[3-(2-allyl-6-chloro-phenoxy)propyl]-4-methyl-piperazin-4-ium Formula: C17H26ClN2O+ MolecularWeight: 309.85414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1