[(1S)-1-(4-bromophenyl)propyl]-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(2-methylpropoxy)propyl]azanium Openeye Name: [(1S)-1-(4-bromophenyl)propyl]-(3-isobutoxypropyl)ammonium CAS Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(2-methylpropoxy)propyl]azanium Traditional Name: [(1S)-1-(4-bromophenyl)propyl]-(3-isobutoxypropyl)ammonium Formula: C16H27BrNO+ MolecularWeight: 329.29568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CCCOCC(C)C

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)Br)[NH2+]CCCOCC(C)C

InChI

InChI=1S/C16H26BrNO/c1-4-16(14-6-8-15(17)9-7-14)18-10-5-11-19-12-13(2)3/h6-9,13,16,18H,4-5,10-12H2,1-3H3/p+1/t16-/m0/s1