1-[4-(4-chloranylphenoxy)butyl]azepan-1-ium

Systemtic Name: 1-[4-(4-chloranylphenoxy)butyl]azepan-1-ium Openeye Name: 1-[4-(4-chlorophenoxy)butyl]azepan-1-ium CAS Name: 1-[4-(4-chlorophenoxy)butyl]azepan-1-ium IUPAC Name: 1-[4-(4-chlorophenoxy)butyl]azepan-1-ium Traditional Name: 1-[4-(4-chlorophenoxy)butyl]azepan-1-ium Formula: C16H25ClNO+ MolecularWeight: 282.8288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H24ClNO/c17-15-7-9-16(10-8-15)19-14-6-5-13-18-11-3-1-2-4-12-18/h7-10H,1-6,11-14H2/p+1