dibutyl-[4-(3-chloranyl-4-phenyl-phenoxy)butyl]-methyl-azanium

Systemtic Name: dibutyl-[4-(3-chloranyl-4-phenyl-phenoxy)butyl]-methyl-azanium Openeye Name: dibutyl-[4-(3-chloro-4-phenyl-phenoxy)butyl]-methyl-ammonium CAS Name: dibutyl-[4-(3-chloro-4-phenylphenoxy)butyl]-methylammonium IUPAC Name: dibutyl-[4-(3-chloro-4-phenylphenoxy)butyl]-methylazanium Traditional Name: dibutyl-[4-(3-chloro-4-phenyl-phenoxy)butyl]-methyl-ammonium Formula: C25H37ClNO+ MolecularWeight: 403.02038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCC)CCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCC[N+](C)(CCCC)CCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)Cl

InChI

InChI=1S/C25H37ClNO/c1-4-6-17-27(3,18-7-5-2)19-11-12-20-28-23-15-16-24(25(26)21-23)22-13-9-8-10-14-22/h8-10,13-16,21H,4-7,11-12,17-20H2,1-3H3/q+1