2-azanylethyl-[[2-(2-phenylazanylphenyl)phenyl]methyl]-di(propan-2-yl)azanium bromide

Systemtic Name: 2-azanylethyl-[[2-(2-phenylazanylphenyl)phenyl]methyl]-di(propan-2-yl)azanium bromide Openeye Name: 2-aminoethyl-[[2-(2-anilinophenyl)phenyl]methyl]-diisopropyl-ammonium bromide CAS Name: 2-aminoethyl-[[2-(2-anilinophenyl)phenyl]methyl]-di(propan-2-yl)ammonium bromide IUPAC Name: 2-aminoethyl-[[2-(2-anilinophenyl)phenyl]methyl]-di(propan-2-yl)azanium bromide Traditional Name: 2-aminoethyl-[2-(2-anilinophenyl)benzyl]-diisopropyl-ammonium bromide Formula: C27H36BrN3 MolecularWeight: 482.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](CCN)(CC1=CC=CC=C1C2=CC=CC=C2NC3=CC=CC=C3)C(C)C.[Br-]

Isomeric SMILES

CC(C)[N+](CCN)(CC1=CC=CC=C1C2=CC=CC=C2NC3=CC=CC=C3)C(C)C.[Br-]

InChI

InChI=1S/C27H36N3.BrH/c1-21(2)30(19-18-28,22(3)4)20-23-12-8-9-15-25(23)26-16-10-11-17-27(26)29-24-13-6-5-7-14-24;/h5-17,21-22,29H,18-20,28H2,1-4H3;1H/q+1;/p-1