[(1S)-2-azaniumyl-1-(4-bromophenyl)ethyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-bromophenyl)ethyl]-methyl-propan-2-yl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-bromophenyl)ethyl]-isopropyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-bromophenyl)ethyl]-methyl-propan-2-ylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-bromophenyl)ethyl]-methyl-propan-2-ylazanium Traditional Name: [(1S)-2-ammonio-1-(4-bromophenyl)ethyl]-isopropyl-methyl-ammonium Formula: C12H21BrN2+2 MolecularWeight: 273.21254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)C(C[NH3+])C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[NH+](C)[C@H](C[NH3+])C1=CC=C(C=C1)Br

InChI

InChI=1S/C12H19BrN2/c1-9(2)15(3)12(8-14)10-4-6-11(13)7-5-10/h4-7,9,12H,8,14H2,1-3H3/p+2/t12-/m1/s1