1-[3-(4-chloranyl-3-methyl-phenoxy)propyl]azepan-1-ium

Systemtic Name: 1-[3-(4-chloranyl-3-methyl-phenoxy)propyl]azepan-1-ium Openeye Name: 1-[3-(4-chloro-3-methyl-phenoxy)propyl]azepan-1-ium CAS Name: 1-[3-(4-chloro-3-methylphenoxy)propyl]azepan-1-ium IUPAC Name: 1-[3-(4-chloro-3-methylphenoxy)propyl]azepan-1-ium Traditional Name: 1-[3-(4-chloro-3-methyl-phenoxy)propyl]azepan-1-ium Formula: C16H25ClNO+ MolecularWeight: 282.8288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC[NH+]2CCCCCC2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC[NH+]2CCCCCC2)Cl

InChI

InChI=1S/C16H24ClNO/c1-14-13-15(7-8-16(14)17)19-12-6-11-18-9-4-2-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3/p+1