1-[4-(2-chloranyl-5-methyl-phenoxy)butyl]azepan-1-ium

Systemtic Name: 1-[4-(2-chloranyl-5-methyl-phenoxy)butyl]azepan-1-ium Openeye Name: 1-[4-(2-chloro-5-methyl-phenoxy)butyl]azepan-1-ium CAS Name: 1-[4-(2-chloro-5-methylphenoxy)butyl]azepan-1-ium IUPAC Name: 1-[4-(2-chloro-5-methylphenoxy)butyl]azepan-1-ium Traditional Name: 1-[4-(2-chloro-5-methyl-phenoxy)butyl]azepan-1-ium Formula: C17H27ClNO+ MolecularWeight: 296.85538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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