2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethyl-heptadecyl-dimethyl-azanium

Systemtic Name: 2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethyl-heptadecyl-dimethyl-azanium Openeye Name: 2-(2-benzyl-4-chloro-phenoxy)ethyl-heptadecyl-dimethyl-ammonium CAS Name: 2-[4-chloro-2-(phenylmethyl)phenoxy]ethyl-heptadecyl-dimethylammonium IUPAC Name: 2-(2-benzyl-4-chlorophenoxy)ethyl-heptadecyl-dimethylazanium Traditional Name: 2-(2-benzyl-4-chloro-phenoxy)ethyl-heptadecyl-dimethyl-ammonium Formula: C34H55ClNO+ MolecularWeight: 529.2596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[N+](C)(C)CCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC[N+](C)(C)CCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C34H55ClNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-36(2,3)27-28-37-34-25-24-33(35)30-32(34)29-31-22-19-18-20-23-31/h18-20,22-25,30H,4-17,21,26-29H2,1-3H3/q+1