[2-[[[(1S)-1-(3-bromophenyl)ethyl]azaniumyl]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(1S)-1-(3-bromophenyl)ethyl]azaniumyl]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[(1S)-1-(3-bromophenyl)ethyl]ammonio]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(1S)-1-(3-bromophenyl)ethyl]ammonio]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(1S)-1-(3-bromophenyl)ethyl]azaniumyl]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[(1S)-1-(3-bromophenyl)ethyl]ammonio]methyl]benzyl]-dimethyl-ammonium Formula: C18H25BrN2+2 MolecularWeight: 349.3085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)[NH2+]CC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)Br)[NH2+]CC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C18H23BrN2/c1-14(15-9-6-10-18(19)11-15)20-12-16-7-4-5-8-17(16)13-21(2)3/h4-11,14,20H,12-13H2,1-3H3/p+2/t14-/m0/s1