2-[3-[4-chloranyl-2-(phenylmethyl)phenoxy]propylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[4-chloranyl-2-(phenylmethyl)phenoxy]propylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[3-(2-benzyl-4-chloro-phenoxy)propylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[3-[4-chloro-2-(phenylmethyl)phenoxy]propylammonio]ethyl-dimethylammonium IUPAC Name: 2-[3-(2-benzyl-4-chlorophenoxy)propylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[3-(2-benzyl-4-chloro-phenoxy)propylammonio]ethyl-dimethyl-ammonium Formula: C20H29ClN2O+2 MolecularWeight: 348.91006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CCCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CC[NH2+]CCCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C20H27ClN2O/c1-23(2)13-12-22-11-6-14-24-20-10-9-19(21)16-18(20)15-17-7-4-3-5-8-17/h3-5,7-10,16,22H,6,11-15H2,1-2H3/p+2