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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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