1-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]piperidin-1-ium

Systemtic Name: 1-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]piperidin-1-ium Openeye Name: 1-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]piperidin-1-ium CAS Name: 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]piperidin-1-ium IUPAC Name: 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]piperidin-1-ium Traditional Name: 1-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]piperidin-1-ium Formula: C17H27ClNO+ MolecularWeight: 296.85538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC[NH+]2CCCCC2

InChI

InChI=1S/C17H26ClNO/c1-14-12-16(13-15(2)17(14)18)20-11-7-6-10-19-8-4-3-5-9-19/h12-13H,3-11H2,1-2H3/p+1