1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)hexyl]pyrrolidin-1-ium

Systemtic Name: 1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)hexyl]pyrrolidin-1-ium Openeye Name: 1-[6-(4-chloro-3,5-dimethyl-phenoxy)hexyl]pyrrolidin-1-ium CAS Name: 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]pyrrolidin-1-ium IUPAC Name: 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]pyrrolidin-1-ium Traditional Name: 1-[6-(4-chloro-3,5-dimethyl-phenoxy)hexyl]pyrrolidin-1-ium Formula: C18H29ClNO+ MolecularWeight: 310.88196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCCCC[NH+]2CCCC2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCCCC[NH+]2CCCC2

InChI

InChI=1S/C18H28ClNO/c1-15-13-17(14-16(2)18(15)19)21-12-8-4-3-5-9-20-10-6-7-11-20/h13-14H,3-12H2,1-2H3/p+1