1-[6-(2-chloranyl-6-methyl-phenoxy)hexyl]pyrrolidin-1-ium

Systemtic Name: 1-[6-(2-chloranyl-6-methyl-phenoxy)hexyl]pyrrolidin-1-ium Openeye Name: 1-[6-(2-chloro-6-methyl-phenoxy)hexyl]pyrrolidin-1-ium CAS Name: 1-[6-(2-chloro-6-methylphenoxy)hexyl]pyrrolidin-1-ium IUPAC Name: 1-[6-(2-chloro-6-methylphenoxy)hexyl]pyrrolidin-1-ium Traditional Name: 1-[6-(2-chloro-6-methyl-phenoxy)hexyl]pyrrolidin-1-ium Formula: C17H27ClNO+ MolecularWeight: 296.85538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)OCCCCCC[NH+]2CCCC2

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)OCCCCCC[NH+]2CCCC2

InChI

InChI=1S/C17H26ClNO/c1-15-9-8-10-16(18)17(15)20-14-7-3-2-4-11-19-12-5-6-13-19/h8-10H,2-7,11-14H2,1H3/p+1