2-[bis(phenylmethyl)amino]ethyl-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: 2-[bis(phenylmethyl)amino]ethyl-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [3-(2-chlorophenoxy)-2-hydroxy-propyl]-[2-(dibenzylamino)ethyl]-dimethyl-ammonium CAS Name: 2-[bis(phenylmethyl)amino]ethyl-[3-(2-chlorophenoxy)-2-hydroxypropyl]-dimethylammonium IUPAC Name: [3-(2-chlorophenoxy)-2-hydroxypropyl]-[2-(dibenzylamino)ethyl]-dimethylazanium Traditional Name: [3-(2-chlorophenoxy)-2-hydroxy-propyl]-[2-(dibenzylamino)ethyl]-dimethyl-ammonium Formula: C27H34ClN2O2+ MolecularWeight: 454.02406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCN(CC1=CC=CC=C1)CC2=CC=CC=C2)CC(COC3=CC=CC=C3Cl)O

Isomeric SMILES

C[N+](C)(CCN(CC1=CC=CC=C1)CC2=CC=CC=C2)CC(COC3=CC=CC=C3Cl)O

InChI

InChI=1S/C27H34ClN2O2/c1-30(2,21-25(31)22-32-27-16-10-9-15-26(27)28)18-17-29(19-23-11-5-3-6-12-23)20-24-13-7-4-8-14-24/h3-16,25,31H,17-22H2,1-2H3/q+1