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

Systemtic Name: 2-[bis(phenylmethyl)amino]ethyl-dimethyl-[3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-(dibenzylamino)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethyl-ammonium CAS Name: 2-[bis(phenylmethyl)amino]ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethylammonium IUPAC Name: 2-(dibenzylamino)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethylazanium Traditional Name: 2-(dibenzylamino)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]-dimethyl-ammonium Formula: C28H37N2O2+ MolecularWeight: 433.60558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[N+](C)(C)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC=C1OCC(C[N+](C)(C)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C28H37N2O2/c1-24-12-10-11-17-28(24)32-23-27(31)22-30(2,3)19-18-29(20-25-13-6-4-7-14-25)21-26-15-8-5-9-16-26/h4-17,27,31H,18-23H2,1-3H3/q+1