1-[6-(4-chloranyl-3-ethyl-phenoxy)hexyl]-4-methyl-piperidin-1-ium

Systemtic Name: 1-[6-(4-chloranyl-3-ethyl-phenoxy)hexyl]-4-methyl-piperidin-1-ium Openeye Name: 1-[6-(4-chloro-3-ethyl-phenoxy)hexyl]-4-methyl-piperidin-1-ium CAS Name: 1-[6-(4-chloro-3-ethylphenoxy)hexyl]-4-methylpiperidin-1-ium IUPAC Name: 1-[6-(4-chloro-3-ethylphenoxy)hexyl]-4-methylpiperidin-1-ium Traditional Name: 1-[6-(4-chloro-3-ethyl-phenoxy)hexyl]-4-methyl-piperidin-1-ium Formula: C20H33ClNO+ MolecularWeight: 338.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCCCC[NH+]2CCC(CC2)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCCCC[NH+]2CCC(CC2)C)Cl

InChI

InChI=1S/C20H32ClNO/c1-3-18-16-19(8-9-20(18)21)23-15-7-5-4-6-12-22-13-10-17(2)11-14-22/h8-9,16-17H,3-7,10-15H2,1-2H3/p+1